data_2v93_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 2v93 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 24.3 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 16.8 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 6.5 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 16.2 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 43.3 t -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.1 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 20.3 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 18.7 m -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 25.8 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.8 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.7 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 31.9 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 6.6 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 25.6 t -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 22.6 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.432 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 1.7 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.3 m -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 43.4 t -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.417 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 0.5 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 25.8 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 24.6 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 8.9 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.5 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 13.9 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.7 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 21.0 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 10.2 t -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 23.4 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.0 m -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 31.6 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 15.2 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 m -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.456 ' SG ' ' O ' ' A' ' 41' ' ' CYS . 0.5 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 43.1 t -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 047 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 047 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 31.5 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 047 nuclear orig core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 047 nuclear orig core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.9 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 049 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 049 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 29.2 m -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 049 nuclear orig core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 049 nuclear orig core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 050 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 050 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.449 ' SG ' ' O ' ' A' ' 41' ' ' CYS . 16.9 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 050 nuclear orig core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 050 nuclear orig core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 24.3 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.79 ' N ' ' O12' ' A' ' 500' ' ' MXT . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.313 0 O-C-N 125.664 1.852 . . . . 0.0 106.868 172.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.711 1 O-C-N 129.166 4.245 . . . . 0.0 107.936 -176.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.913 0 CA-C-N 121.032 1.742 . . . . 0.0 112.665 -178.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.197 0 CA-C-N 114.198 -1.365 . . . . 0.0 110.888 -177.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.218 0 C-N-CA 126.982 2.113 . . . . 0.0 110.226 -177.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.461 0 O-C-N 120.871 -1.143 . . . . 0.0 109.853 178.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.585 0 N-CA-C 105.953 -1.869 . . . . 0.0 105.953 -177.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 127.181 2.801 . . . . 0.0 107.833 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.572 1.807 0 CA-C-O 115.447 -2.216 . . . . 0.0 106.401 176.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.538 1 O-C-N 130.685 4.99 . . . . 0.0 106.28 178.053 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.134 0 CA-C-O 113.772 -3.013 . . . . 0.0 105.856 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.467 0 CA-C-N 121.155 1.798 . . . . 0.0 110.002 -177.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 125.947 2.029 . . . . 0.0 105.774 -176.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.356 0 O-C-N 127.485 2.99 . . . . 0.0 112.74 -176.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.267 1.98 0 O-C-N 127.229 2.831 . . . . 0.0 112.24 177.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 122.167 2.258 . . . . 0.0 111.918 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--O 1.225 -0.228 0 O-C-N 126.692 2.495 . . . . 0.0 109.72 -174.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.325 -0.699 0 C-N-CA 124.679 3.586 . . . . 0.0 111.915 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.83 0 CA-C-N 111.763 -2.471 . . . . 0.0 106.746 179.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.251 0 O-C-N 127.506 3.371 . . . . 0.0 107.946 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.513 0 CA-C-O 116.164 -1.682 . . . . 0.0 108.313 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.428 -1.563 0 O-C-N 127.108 2.755 . . . . 0.0 112.138 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -2.005 0 C-N-CA 126.784 2.034 . . . . 0.0 114.918 -174.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.69 0 N-CA-C 107.699 -1.222 . . . . 0.0 107.699 175.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 124.898 1.374 . . . . 0.0 113.661 -175.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.257 1.453 0 CA-C-O 117.379 -1.296 . . . . 0.0 112.759 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.301 0 CA-C-N 121.783 2.083 . . . . 0.0 114.971 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.46 0 C-N-CA 122.161 1.907 . . . . 0.0 113.309 178.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.293 -1.89 0 C-N-CA 129.793 3.237 . . . . 0.0 112.27 178.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.037 0 O-C-N 119.411 -2.055 . . . . 0.0 109.53 177.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.559 1.318 0 CA-C-O 115.57 -2.157 . . . . 0.0 109.264 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 127.414 2.946 . . . . 0.0 109.404 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.253 1.242 0 O-C-N 120.296 -1.502 . . . . 0.0 112.89 177.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-O 122.018 0.913 . . . . 0.0 113.366 179.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.261 0 C-N-CA 126.465 1.906 . . . . 0.0 109.264 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.766 0 O-C-N 125.151 1.532 . . . . 0.0 110.237 175.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.166 0 C-N-CA 127.056 2.142 . . . . 0.0 114.582 178.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.001 0 CA-C-O 117.072 -1.96 . . . . 0.0 112.304 178.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-N 118.177 0.988 . . . . 0.0 108.474 179.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 176.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.246 0.92 0 C-N-CA 123.904 0.882 . . . . 0.0 112.844 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.256 1.436 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 -175.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.074 0 C-N-CA 125.033 1.333 . . . . 0.0 108.095 175.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 177.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.953 0 CA-C-N 114.287 -1.324 . . . . 0.0 110.045 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-O 116.001 -1.952 . . . . 0.0 112.34 178.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.278 -2.533 0 N-CA-C 116.56 2.059 . . . . 0.0 116.56 -174.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.579 0 CA-C-O 122.742 1.258 . . . . 0.0 112.322 -178.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 122.403 2.069 . . . . 0.0 115.079 -179.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 177.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.425 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 178.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.497 -1.086 0 O-C-N 118.351 -2.718 . . . . 0.0 114.67 -179.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.315 0 N-CA-C 115.978 1.844 . . . . 0.0 115.978 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.502 -1.079 0 CA-C-N 120.298 1.142 . . . . 0.0 114.849 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.315 1.046 . . . . 0.0 112.015 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 O-C-N 125.154 1.534 . . . . 0.0 111.516 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.318 0 N-CA-C 116.901 2.186 . . . . 0.0 116.901 179.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 127.657 2.383 . . . . 0.0 115.533 -177.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.849 0 N-CA-C 117.148 2.277 . . . . 0.0 117.148 -178.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.042 0 CA-C-O 115.693 -2.726 . . . . 0.0 118.869 177.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.967 0 CA-C-N 124.171 3.985 . . . . 0.0 111.354 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-O 115.652 -2.118 . . . . 0.0 106.289 177.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.302 -1.481 0 O-C-N 125.484 1.74 . . . . 0.0 107.625 -178.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.47 0 O-C-N 125.789 1.931 . . . . 0.0 111.429 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-O 122.123 0.964 . . . . 0.0 110.687 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.248 1.012 0 N-CA-C 106.757 -1.572 . . . . 0.0 106.757 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.266 1.955 0 O-C-N 126.031 2.082 . . . . 0.0 116.221 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.769 0 CA-C-O 117.951 -1.023 . . . . 0.0 112.602 -178.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 1.991 0 N-CA-C 107.836 -2.106 . . . . 0.0 107.836 -178.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 125.332 2.492 . . . . 0.0 112.683 -177.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.851 0 CA-C-N 110.951 -2.84 . . . . 0.0 110.426 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.314 -0.969 0 O-C-N 126.38 2.3 . . . . 0.0 105.375 176.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.391 0 N-CA-C 117.778 2.51 . . . . 0.0 117.778 -176.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 178.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 103.854 -2.647 . . . . 0.0 103.854 177.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 CA-C-N 112.016 -2.356 . . . . 0.0 108.037 -179.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.288 0 N-CA-C 118.503 2.161 . . . . 0.0 118.503 -178.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.688 0 CA-C-N 118.212 1.006 . . . . 0.0 112.245 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.697 0 O-C-N 123.684 0.615 . . . . 0.0 112.589 -177.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 124.175 1.94 . . . . 0.0 110.105 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.893 0 CA-C-N 113.441 -1.709 . . . . 0.0 108.389 -178.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 C--N 1.318 -0.449 0 CA-C-N 114.045 -1.434 . . . . 0.0 110.248 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.328 -0.332 0 O-C-N 124.857 0.975 . . . . 0.0 109.986 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 1.023 0 CA-C-N 114.377 -1.283 . . . . 0.0 109.376 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.203 0 O-C-N 124.523 1.139 . . . . 0.0 110.253 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.815 0 N-CA-C 119.028 2.371 . . . . 0.0 119.028 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.824 0 O-C-N 120.935 -1.332 . . . . 0.0 109.088 179.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 107.044 -1.465 . . . . 0.0 107.044 178.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.877 0 O-C-N 125.68 1.862 . . . . 0.0 110.29 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.343 0.592 . . . . 0.0 111.912 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 115.718 -2.087 . . . . 0.0 108.799 -177.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.906 0 O-C-N 127.269 2.856 . . . . 0.0 110.39 178.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-O 117.675 -1.155 . . . . 0.0 109.572 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 O-C-N 128.149 3.405 . . . . 0.0 112.821 -177.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.252 1.219 0 O-C-N 125.067 1.479 . . . . 0.0 111.745 -178.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 123.878 0.871 . . . . 0.0 110.202 178.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.951 0 N-CA-C 118.01 2.596 . . . . 0.0 118.01 175.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.311 -1.069 0 C-N-CA 124.129 0.971 . . . . 0.0 109.086 177.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 127.411 2.944 . . . . 0.0 111.344 -177.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.305 -1.359 0 C-N-CA 129.981 3.313 . . . . 0.0 108.961 178.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.246 0.904 0 O-C-N 126.75 2.531 . . . . 0.0 113.744 -178.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 115.27 1.581 . . . . 0.0 115.27 -178.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 124.719 1.262 . . . . 0.0 109.883 178.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 124.007 0.923 . . . . 0.0 109.153 179.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.875 0 C-N-CA 123.455 0.702 . . . . 0.0 112.734 -178.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-O 117.019 -1.467 . . . . 0.0 111.023 -177.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 CA-C-O 116.71 -1.614 . . . . 0.0 110.667 -176.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.252 1.194 0 CA-C-N 119.599 1.09 . . . . 0.0 112.836 -178.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 124.968 1.307 . . . . 0.0 111.654 -178.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 125.054 1.471 . . . . 0.0 108.328 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 126.572 2.42 . . . . 0.0 111.625 -178.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.025 0 C-N-CA 120.17 -0.612 . . . . 0.0 110.536 177.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 114.287 1.217 . . . . 0.0 114.287 -177.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 125.659 1.584 . . . . 0.0 111.267 177.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 C--O 1.242 0.648 0 O-C-N 121.269 -0.894 . . . . 0.0 114.249 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.606 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 119.826 -1.796 . . . . 0.0 109.656 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.901 0 N-CA-C 116.336 1.976 . . . . 0.0 116.336 -176.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 125.27 1.606 . . . . 0.0 110.287 -176.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 112.553 -2.112 . . . . 0.0 108.32 176.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 N-CA-C 104.507 -2.405 . . . . 0.0 104.507 178.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.785 0 O-C-N 125.382 1.677 . . . . 0.0 108.28 -177.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.302 -1.306 0 O-C-N 125.912 2.008 . . . . 0.0 110.998 -175.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.455 0 O-C-N 126.324 2.75 . . . . 0.0 115.043 -176.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.257 1.481 0 O-C-N 120.388 -1.445 . . . . 0.0 113.814 177.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.345 0 N-CA-C 115.597 1.702 . . . . 0.0 115.597 -176.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.263 1.8 0 CA-C-O 115.073 -2.394 . . . . 0.0 112.818 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.261 1.664 0 CA-C-N 120.915 1.689 . . . . 0.0 114.824 -178.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.063 0 C-N-CA 127.061 2.145 . . . . 0.0 111.156 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 O-C-N 126.202 2.189 . . . . 0.0 110.468 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 177.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.711 0 C-N-CA 126.572 1.949 . . . . 0.0 112.633 179.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.252 1.201 0 CA-C-N 113.173 -1.831 . . . . 0.0 111.413 -177.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.309 -1.173 0 C-N-CA 123.881 0.873 . . . . 0.0 113.146 -179.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 104.166 -2.531 . . . . 0.0 104.166 177.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 104.823 -2.288 . . . . 0.0 104.823 178.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 128.514 3.634 . . . . 0.0 116.967 -175.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.582 4.271 0 N-CA-C 105.337 -3.105 . . . . 0.0 105.337 177.057 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.343 0 O-C-N 128.489 3.111 . . . . 0.0 106.583 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.824 0 C-N-CA 118.903 -1.119 . . . . 0.0 112.696 -177.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.747 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 177.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.82 0 CA-C-O 122.467 1.127 . . . . 0.0 108.083 176.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 121.468 1.446 . . . . 0.0 111.868 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 177.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 105.329 -2.1 . . . . 0.0 105.329 177.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 122.765 1.269 . . . . 0.0 110.092 -176.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.173 0 CA-C-N 112.654 -2.066 . . . . 0.0 112.764 -179.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.202 0 CA-C-N 118.186 0.993 . . . . 0.0 110.752 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.929 0 O-C-N 123.45 1.237 . . . . 0.0 111.58 177.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 103.183 -2.895 . . . . 0.0 103.183 178.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.348 0 O-C-N 126.89 2.619 . . . . 0.0 112.24 -178.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.684 0 N-CA-C 107.586 -1.736 . . . . 0.0 107.586 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.97 0 O-C-N 128.076 3.36 . . . . 0.0 102.996 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.985 0 CA-C-O 116.033 -1.937 . . . . 0.0 108.782 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.839 0 N-CA-C 104.118 -3.593 . . . . 0.0 104.118 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.527 0 CA-C-O 115.687 -2.101 . . . . 0.0 109.489 -178.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.73 0 N-CA-C 103.739 -2.689 . . . . 0.0 103.739 -178.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.498 -1.054 0 O-C-N 127.722 3.139 . . . . 0.0 113.532 -176.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 106.321 -1.733 . . . . 0.0 106.321 -178.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.951 0 O-C-N 126.308 2.255 . . . . 0.0 107.661 -178.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.882 -1.952 . . . . 0.0 110.271 -177.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--N 1.306 -1.3 0 N-CA-C 100.645 -3.835 . . . . 0.0 100.645 176.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.445 -1.332 0 CA-C-O 115.267 -2.055 . . . . 0.0 112.154 -178.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.272 -2.798 0 CA-C-N 120.693 1.588 . . . . 0.0 109.555 177.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.414 0 CA-C-N 112.828 -1.987 . . . . 0.0 110.594 178.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.434 -1.263 0 O-C-N 120.97 -1.081 . . . . 0.0 110.428 178.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.556 1.182 0 O-C-N 125.78 1.925 . . . . 0.0 110.278 -178.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.079 0 O-C-N 127.034 2.709 . . . . 0.0 107.007 178.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.622 0 CA-C-O 122.228 1.014 . . . . 0.0 112.925 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.442 -0.857 0 O-C-N 117.451 -3.281 . . . . 0.0 114.591 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.799 0 O-C-N 125.591 1.807 . . . . 0.0 108.141 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.582 1 O-C-N 129.207 4.067 . . . . 0.0 109.783 179.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 120.01 -1.681 . . . . 0.0 111.849 179.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.53 0 C-N-CA 125.127 1.371 . . . . 0.0 112.807 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.29 -2.019 0 C-N-CA 127.984 2.707 . . . . 0.0 114.327 -178.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.282 0 C-N-CA 128.222 2.609 . . . . 0.0 111.502 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 C-N-CA 117.599 -1.64 . . . . 0.0 107.381 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.287 -2.137 0 CA-C-O 117.295 -1.335 . . . . 0.0 108.967 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.314 -1.289 0 C-N-CA 122.904 2.403 . . . . 0.0 111.722 178.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 332' ' ' ASN . . . . . . . . . . . . . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.005 0 O-C-N 118.67 -2.519 . . . . 0.0 115.73 -177.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.034 0 C-N-CA 126.62 1.968 . . . . 0.0 110.912 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.945 0 C-N-CA 123.424 2.749 . . . . 0.0 115.524 176.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-N 121.267 1.849 . . . . 0.0 113.426 177.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 124.958 1.303 . . . . 0.0 108.047 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.246 0.871 0 C-N-CA 119.084 -1.047 . . . . 0.0 109.725 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.622 -0.674 . . . . 0.0 109.3 179.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-N 114.226 -1.352 . . . . 0.0 109.755 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-N 119.585 1.084 . . . . 0.0 111.973 -178.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 117.108 -1.425 . . . . 0.0 111.886 -178.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 115.046 1.499 . . . . 0.0 115.046 -178.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.453 0 CA-C-N 114.581 -1.191 . . . . 0.0 109.187 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-O 124.897 2.284 . . . . 0.0 109.42 178.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.032 0 CA-C-N 112.717 -2.038 . . . . 0.0 111.327 178.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.743 0 CA-C-N 121.127 1.785 . . . . 0.0 112.735 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.253 1.266 0 CA-C-O 118.447 -0.787 . . . . 0.0 112.3 -176.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 O-C-N 124.114 0.884 . . . . 0.0 109.176 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.307 -1.262 0 CA-C-O 115.252 -2.308 . . . . 0.0 110.937 -178.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.309 -1.194 0 O-C-N 127.595 3.059 . . . . 0.0 111.061 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.778 0 C-N-CA 127.35 2.26 . . . . 0.0 113.738 -177.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 125.986 2.054 . . . . 0.0 112.205 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.376 0 CA-C-N 121.316 1.871 . . . . 0.0 114.821 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.598 0 C-N-CA 124.806 1.243 . . . . 0.0 111.432 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 178.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 178.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 O-C-N 124.833 1.333 . . . . 0.0 110.052 -178.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.368 0 CA-C-N 113.649 -1.614 . . . . 0.0 111.045 178.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 127.153 2.181 . . . . 0.0 112.547 -178.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 113.688 -1.596 . . . . 0.0 111.991 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-O 116.777 -1.582 . . . . 0.0 111.69 -178.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 126.516 2.385 . . . . 0.0 107.564 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.07 0 C-N-CA 126.4 1.88 . . . . 0.0 113.158 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.626 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.192 0 O-C-N 124.381 1.051 . . . . 0.0 108.212 178.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-O 116.541 -1.695 . . . . 0.0 112.093 179.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.523 0 N-CA-C 115.907 1.817 . . . . 0.0 115.907 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 O-C-N 124.455 1.097 . . . . 0.0 111.082 -177.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.118 0 O-C-N 125.438 1.711 . . . . 0.0 111.365 -178.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.063 0 C-N-CA 127.243 2.217 . . . . 0.0 107.485 179.117 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 500' ' ' MXT . . . . . 0.854 ' O11' H232 ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 600' ' ' MXT . . . . . 0.733 ' O12' H232 ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.408 ' C ' H121 ' A' ' 500' ' ' MXT . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 1.243 ' CA ' H121 ' A' ' 500' ' ' MXT . 16.8 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.78 ' N ' ' O12' ' A' ' 500' ' ' MXT . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.296 0 O-C-N 125.664 1.852 . . . . 0.0 106.913 172.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.729 1 O-C-N 129.199 4.263 . . . . 0.0 107.982 -177.382 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.896 0 CA-C-N 121.002 1.728 . . . . 0.0 112.631 -178.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.194 0 CA-C-N 114.24 -1.345 . . . . 0.0 110.888 -178.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.171 0 C-N-CA 126.986 2.114 . . . . 0.0 110.169 -177.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.448 0 O-C-N 120.906 -1.121 . . . . 0.0 109.852 -178.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.565 0 N-CA-C 105.911 -1.885 . . . . 0.0 105.911 -177.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 127.135 2.772 . . . . 0.0 107.852 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.572 1.793 0 CA-C-O 115.397 -2.239 . . . . 0.0 106.438 177.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.562 1 O-C-N 130.719 5.012 . . . . 0.0 106.275 177.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.114 0 CA-C-O 113.765 -3.016 . . . . 0.0 105.862 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-N 121.076 1.762 . . . . 0.0 110.034 -177.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.794 0 O-C-N 125.879 1.987 . . . . 0.0 105.789 -176.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.345 0 O-C-N 127.508 3.005 . . . . 0.0 112.771 -176.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.968 0 O-C-N 127.219 2.824 . . . . 0.0 112.258 177.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 122.135 2.243 . . . . 0.0 111.917 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--O 1.225 -0.2 0 O-C-N 126.664 2.478 . . . . 0.0 109.723 -174.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.736 0 C-N-CA 124.669 3.579 . . . . 0.0 111.965 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.477 0.881 0 CA-C-N 111.673 -2.512 . . . . 0.0 106.726 179.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.254 0 O-C-N 127.539 3.389 . . . . 0.0 107.9 178.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.329 -0.491 0 CA-C-O 116.144 -1.69 . . . . 0.0 108.37 178.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.6 0 O-C-N 127.063 2.727 . . . . 0.0 112.176 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.291 -1.939 0 C-N-CA 126.773 2.029 . . . . 0.0 114.885 -174.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.703 0 N-CA-C 107.71 -1.218 . . . . 0.0 107.71 175.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.304 0 O-C-N 124.9 1.375 . . . . 0.0 113.667 -175.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.257 1.448 0 CA-C-O 117.388 -1.292 . . . . 0.0 112.771 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.299 0 CA-C-N 121.779 2.082 . . . . 0.0 114.947 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.311 -1.443 0 C-N-CA 122.149 1.899 . . . . 0.0 113.333 178.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.901 0 C-N-CA 129.767 3.227 . . . . 0.0 112.327 178.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.064 0 O-C-N 119.436 -2.04 . . . . 0.0 109.548 177.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.33 0 CA-C-O 115.576 -2.155 . . . . 0.0 109.269 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 127.41 2.944 . . . . 0.0 109.353 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.234 0 O-C-N 120.324 -1.485 . . . . 0.0 112.888 177.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-O 122.04 0.924 . . . . 0.0 113.321 179.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.247 0 C-N-CA 126.454 1.902 . . . . 0.0 109.258 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 125.127 1.517 . . . . 0.0 110.216 175.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.159 0 C-N-CA 127.128 2.171 . . . . 0.0 114.566 178.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 1.977 0 CA-C-O 117.103 -1.943 . . . . 0.0 112.349 178.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 118.175 0.988 . . . . 0.0 108.481 179.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 176.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.925 0 C-N-CA 123.962 0.905 . . . . 0.0 112.836 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.467 0 N-CA-C 115.03 1.492 . . . . 0.0 115.03 -175.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.095 0 C-N-CA 125.035 1.334 . . . . 0.0 108.121 175.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 177.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.948 0 CA-C-N 114.291 -1.322 . . . . 0.0 110.113 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 116.008 -1.949 . . . . 0.0 112.302 178.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.557 0 N-CA-C 116.628 2.085 . . . . 0.0 116.628 -174.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.583 0 CA-C-O 122.733 1.254 . . . . 0.0 112.272 -178.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 122.405 2.07 . . . . 0.0 115.148 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 177.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.433 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 178.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.497 -1.085 0 O-C-N 118.342 -2.724 . . . . 0.0 114.616 -179.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.324 0 N-CA-C 115.986 1.847 . . . . 0.0 115.986 179.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.034 0 CA-C-N 120.272 1.133 . . . . 0.0 114.882 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.246 1.018 . . . . 0.0 112.073 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 O-C-N 125.029 1.456 . . . . 0.0 111.497 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.255 1.343 0 N-CA-C 116.909 2.188 . . . . 0.0 116.909 179.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 127.639 2.375 . . . . 0.0 115.542 -178.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.246 0.881 0 N-CA-C 117.135 2.272 . . . . 0.0 117.135 -178.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.034 0 CA-C-O 115.729 -2.706 . . . . 0.0 118.887 177.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.927 0 CA-C-N 124.141 3.971 . . . . 0.0 111.376 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-O 115.62 -2.133 . . . . 0.0 106.264 177.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.302 -1.489 0 O-C-N 125.528 1.767 . . . . 0.0 107.627 -178.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.493 0 O-C-N 125.839 1.962 . . . . 0.0 111.489 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-O 122.069 0.937 . . . . 0.0 110.709 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.033 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.266 1.963 0 O-C-N 126.099 2.124 . . . . 0.0 116.186 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.787 0 CA-C-O 117.926 -1.035 . . . . 0.0 112.57 -178.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 1.995 0 N-CA-C 107.798 -2.121 . . . . 0.0 107.798 -178.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 125.362 2.505 . . . . 0.0 112.664 -177.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.846 0 CA-C-N 110.871 -2.877 . . . . 0.0 110.395 179.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -0.989 0 O-C-N 126.397 2.31 . . . . 0.0 105.429 176.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.384 0 N-CA-C 117.743 2.497 . . . . 0.0 117.743 -176.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 178.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 177.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 CA-C-N 111.99 -2.368 . . . . 0.0 108.038 -179.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.314 0 N-CA-C 118.548 2.179 . . . . 0.0 118.548 -178.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.677 0 O-C-N 121.443 -1.033 . . . . 0.0 112.246 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.651 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -177.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.828 0 CA-C-O 124.265 1.983 . . . . 0.0 110.036 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.245 0.855 0 CA-C-N 113.404 -1.726 . . . . 0.0 108.375 -178.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 C--N 1.318 -0.463 0 CA-C-N 114.033 -1.44 . . . . 0.0 110.168 179.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 124.775 0.926 . . . . 0.0 110.019 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 1.024 0 CA-C-N 114.403 -1.271 . . . . 0.0 109.375 179.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.484 1.274 0 O-C-N 124.519 1.137 . . . . 0.0 110.156 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 CA--C 1.501 -0.841 0 N-CA-C 119.047 2.379 . . . . 0.0 119.047 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.853 0 O-C-N 120.826 -1.397 . . . . 0.0 109.07 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 178.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.266 1.937 0 O-C-N 125.696 1.873 . . . . 0.0 110.21 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.282 0.563 . . . . 0.0 111.87 -179.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 115.73 -2.081 . . . . 0.0 108.807 -177.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.293 -1.891 0 O-C-N 127.218 2.824 . . . . 0.0 110.332 178.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 117.668 -1.158 . . . . 0.0 109.582 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 O-C-N 128.117 3.385 . . . . 0.0 112.807 -177.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.281 0 O-C-N 125.108 1.505 . . . . 0.0 111.741 -178.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 123.889 0.875 . . . . 0.0 110.189 178.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.949 0 N-CA-C 118.052 2.612 . . . . 0.0 118.052 175.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.311 -1.07 0 C-N-CA 124.088 0.955 . . . . 0.0 109.051 177.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 127.409 2.943 . . . . 0.0 111.338 -177.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.388 0 C-N-CA 129.94 3.296 . . . . 0.0 108.987 178.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.923 0 O-C-N 126.762 2.539 . . . . 0.0 113.795 -178.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -178.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 124.743 1.277 . . . . 0.0 109.965 178.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.303 -1.433 0 C-N-CA 124.051 0.941 . . . . 0.0 109.17 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.858 0 C-N-CA 123.462 0.705 . . . . 0.0 112.69 -178.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-O 117.036 -1.459 . . . . 0.0 111.049 -177.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 CA-C-O 116.735 -1.603 . . . . 0.0 110.688 -176.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.163 0 CA-C-N 119.527 1.058 . . . . 0.0 112.884 -178.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 124.934 1.294 . . . . 0.0 111.71 -178.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 125.031 1.457 . . . . 0.0 108.34 -179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 126.553 2.408 . . . . 0.0 111.639 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.016 0 C-N-CA 120.162 -0.615 . . . . 0.0 110.478 177.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 -177.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 125.662 1.585 . . . . 0.0 111.236 177.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.466 0.663 0 O-C-N 121.344 -0.848 . . . . 0.0 114.215 -179.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 179.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 119.834 -1.791 . . . . 0.0 109.604 -179.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 116.365 1.987 . . . . 0.0 116.365 -176.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 125.215 1.572 . . . . 0.0 110.299 -176.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 112.519 -2.128 . . . . 0.0 108.284 175.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 N-CA-C 104.464 -2.421 . . . . 0.0 104.464 178.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 125.415 1.697 . . . . 0.0 108.27 -177.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.293 0 O-C-N 125.902 2.001 . . . . 0.0 110.987 -175.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.474 -2.522 0 O-C-N 126.265 2.718 . . . . 0.0 115.07 -176.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.259 1.562 0 O-C-N 120.351 -1.468 . . . . 0.0 113.805 177.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.384 0 N-CA-C 115.602 1.705 . . . . 0.0 115.602 -176.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--N 1.294 -1.811 0 CA-C-O 115.116 -2.373 . . . . 0.0 112.787 -178.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.633 0 CA-C-N 120.899 1.682 . . . . 0.0 114.862 -178.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.311 -1.085 0 C-N-CA 127.071 2.149 . . . . 0.0 111.233 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 O-C-N 126.183 2.177 . . . . 0.0 110.476 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 125.342 1.457 . . . . 0.0 107.11 177.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.722 0 C-N-CA 126.554 1.942 . . . . 0.0 112.632 178.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.252 1.196 0 CA-C-N 113.225 -1.807 . . . . 0.0 111.409 -177.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.143 0 C-N-CA 123.858 0.863 . . . . 0.0 113.134 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 104.182 -2.525 . . . . 0.0 104.182 177.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 104.82 -2.289 . . . . 0.0 104.82 178.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 128.46 3.6 . . . . 0.0 116.929 -175.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.584 4.375 0 N-CA-C 105.305 -3.118 . . . . 0.0 105.305 177.088 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.347 0 O-C-N 128.557 3.151 . . . . 0.0 106.515 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.244 0.783 0 C-N-CA 118.945 -1.102 . . . . 0.0 112.666 -177.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.726 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 177.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.84 0 CA-C-O 122.425 1.107 . . . . 0.0 108.095 176.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.288 0 C-N-CA 121.501 1.467 . . . . 0.0 111.853 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 176.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 105.379 -2.082 . . . . 0.0 105.379 177.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 122.77 1.271 . . . . 0.0 110.094 -176.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.184 0 CA-C-N 112.729 -2.032 . . . . 0.0 112.797 -179.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.203 0 CA-C-N 118.177 0.988 . . . . 0.0 110.724 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.923 0 O-C-N 123.476 1.251 . . . . 0.0 111.645 177.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 103.176 -2.898 . . . . 0.0 103.176 178.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.34 0 O-C-N 126.871 2.607 . . . . 0.0 112.233 -178.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.694 0 N-CA-C 107.58 -1.739 . . . . 0.0 107.58 179.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.29 -1.98 0 O-C-N 128.11 3.381 . . . . 0.0 102.987 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.266 1.966 0 CA-C-O 115.985 -1.96 . . . . 0.0 108.796 -178.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.544 1.854 0 N-CA-C 104.088 -3.605 . . . . 0.0 104.088 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.515 0 CA-C-O 115.694 -2.098 . . . . 0.0 109.509 -179.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.724 0 N-CA-C 103.683 -2.71 . . . . 0.0 103.683 -178.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.063 0 O-C-N 127.701 3.126 . . . . 0.0 113.525 -176.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 106.327 -1.731 . . . . 0.0 106.327 -178.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.95 0 O-C-N 126.304 2.252 . . . . 0.0 107.603 -178.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 120.117 -1.813 . . . . 0.0 110.271 -177.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.335 0 N-CA-C 100.617 -3.846 . . . . 0.0 100.617 -177.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.292 0 CA-C-O 115.233 -2.07 . . . . 0.0 112.125 178.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.815 0 CA-C-N 120.68 1.582 . . . . 0.0 109.565 177.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.442 0 CA-C-N 112.843 -1.981 . . . . 0.0 110.587 178.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.304 0 O-C-N 120.925 -1.11 . . . . 0.0 110.399 178.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.141 0 O-C-N 125.766 1.916 . . . . 0.0 110.262 -178.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.087 0 O-C-N 127.034 2.709 . . . . 0.0 107.046 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.611 0 CA-C-O 122.234 1.016 . . . . 0.0 112.91 177.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.916 0 O-C-N 117.41 -3.306 . . . . 0.0 114.552 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.813 0 O-C-N 125.612 1.82 . . . . 0.0 108.105 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.299 -1.607 1 O-C-N 129.231 4.082 . . . . 0.0 109.767 179.202 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 120.011 -1.68 . . . . 0.0 111.887 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.528 0 C-N-CA 125.097 1.359 . . . . 0.0 112.778 178.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.29 -1.989 0 C-N-CA 127.976 2.703 . . . . 0.0 114.303 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.281 0 C-N-CA 128.284 2.634 . . . . 0.0 111.496 -178.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 C-N-CA 117.6 -1.64 . . . . 0.0 107.404 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.088 0 CA-C-O 117.251 -1.357 . . . . 0.0 109.05 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.296 0 C-N-CA 122.845 2.363 . . . . 0.0 111.767 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 332' ' ' ASN . . . . . . . . . . . . . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.01 0 O-C-N 118.632 -2.543 . . . . 0.0 115.721 -178.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.313 -1.014 0 C-N-CA 126.631 1.972 . . . . 0.0 110.918 -179.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.506 -0.907 0 C-N-CA 123.42 2.747 . . . . 0.0 115.433 176.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 121.32 1.873 . . . . 0.0 113.452 178.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 124.933 1.293 . . . . 0.0 107.995 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.246 0.883 0 C-N-CA 119.043 -1.063 . . . . 0.0 109.734 179.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.549 -0.719 . . . . 0.0 109.33 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 C--O 1.243 0.726 0 CA-C-N 114.268 -1.333 . . . . 0.0 109.733 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-N 119.581 1.082 . . . . 0.0 111.937 -177.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-O 117.088 -1.434 . . . . 0.0 111.859 -178.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 115.048 1.499 . . . . 0.0 115.048 -178.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.47 0 CA-C-N 114.588 -1.187 . . . . 0.0 109.159 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-O 124.895 2.283 . . . . 0.0 109.441 178.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.038 0 CA-C-N 112.719 -2.037 . . . . 0.0 111.267 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-N 121.121 1.782 . . . . 0.0 112.773 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.309 0 CA-C-O 118.434 -0.793 . . . . 0.0 112.214 -176.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 O-C-N 124.079 0.862 . . . . 0.0 109.149 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-O 115.219 -2.324 . . . . 0.0 110.892 -178.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.232 0 O-C-N 127.563 3.039 . . . . 0.0 111.024 179.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.79 0 C-N-CA 127.412 2.285 . . . . 0.0 113.753 -177.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 125.967 2.042 . . . . 0.0 112.227 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.384 0 CA-C-N 121.282 1.856 . . . . 0.0 114.823 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.557 0 C-N-CA 124.809 1.244 . . . . 0.0 111.452 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 178.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 O-C-N 124.832 1.332 . . . . 0.0 110.031 -178.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-N 113.677 -1.601 . . . . 0.0 111.056 178.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.302 -1.494 0 C-N-CA 127.125 2.17 . . . . 0.0 112.538 -178.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 113.683 -1.598 . . . . 0.0 111.995 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-O 116.71 -1.614 . . . . 0.0 111.657 -178.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 126.533 2.395 . . . . 0.0 107.556 178.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.059 0 C-N-CA 126.434 1.894 . . . . 0.0 113.123 179.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.678 -179.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.182 0 O-C-N 124.43 1.081 . . . . 0.0 108.181 178.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-O 116.543 -1.694 . . . . 0.0 112.124 179.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.257 1.494 0 N-CA-C 115.959 1.837 . . . . 0.0 115.959 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 O-C-N 124.458 1.099 . . . . 0.0 111.115 -177.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.118 0 O-C-N 125.477 1.736 . . . . 0.0 111.401 -178.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.084 0 C-N-CA 127.298 2.239 . . . . 0.0 107.448 179.129 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 500' ' ' MXT . . . . . 1.243 H121 ' CA ' ' A' ' 41' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 600' ' ' MXT . . . . . 0.692 H232 ' O11' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 6.5 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.296 0 O-C-N 125.664 1.852 . . . . 0.0 106.875 169.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.715 1 O-C-N 129.168 4.246 . . . . 0.0 107.974 -175.445 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.293 -1.891 0 CA-C-N 120.991 1.723 . . . . 0.0 112.626 -178.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.176 0 CA-C-N 114.243 -1.344 . . . . 0.0 110.942 -177.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.16 0 C-N-CA 126.939 2.096 . . . . 0.0 110.232 -177.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.455 0 O-C-N 120.908 -1.12 . . . . 0.0 109.866 178.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.595 0 N-CA-C 105.948 -1.871 . . . . 0.0 105.948 -177.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 127.103 2.752 . . . . 0.0 107.817 179.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.788 0 CA-C-O 115.426 -2.226 . . . . 0.0 106.415 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.561 1 O-C-N 130.684 4.99 . . . . 0.0 106.284 176.425 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.129 0 CA-C-O 113.696 -3.05 . . . . 0.0 105.89 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-N 121.16 1.8 . . . . 0.0 110.026 -177.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.785 0 O-C-N 125.922 2.014 . . . . 0.0 105.798 -176.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.254 1.323 0 O-C-N 127.538 3.024 . . . . 0.0 112.795 -176.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.958 0 O-C-N 127.245 2.841 . . . . 0.0 112.246 177.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 122.171 2.26 . . . . 0.0 111.938 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--O 1.225 -0.196 0 O-C-N 126.642 2.464 . . . . 0.0 109.709 -174.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.735 0 C-N-CA 124.663 3.575 . . . . 0.0 111.916 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.475 0.813 0 CA-C-N 111.772 -2.467 . . . . 0.0 106.761 179.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.279 0 O-C-N 127.537 3.388 . . . . 0.0 107.916 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.327 -0.557 0 O-C-N 124.327 1.699 . . . . 0.0 108.309 178.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.62 0 O-C-N 127.026 2.704 . . . . 0.0 112.151 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.991 0 C-N-CA 126.792 2.037 . . . . 0.0 114.926 -174.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.687 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 174.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.287 0 O-C-N 124.871 1.357 . . . . 0.0 113.592 -175.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.257 1.453 0 CA-C-O 117.407 -1.282 . . . . 0.0 112.791 -179.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.253 1.258 0 CA-C-N 121.759 2.072 . . . . 0.0 114.96 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.479 0 C-N-CA 122.119 1.879 . . . . 0.0 113.292 178.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.264 1.86 0 C-N-CA 129.78 3.232 . . . . 0.0 112.249 178.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.056 0 O-C-N 119.443 -2.036 . . . . 0.0 109.536 177.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.559 1.31 0 CA-C-O 115.606 -2.14 . . . . 0.0 109.218 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 127.334 2.897 . . . . 0.0 109.419 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.253 1.277 0 O-C-N 120.299 -1.5 . . . . 0.0 112.87 177.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-O 122.046 0.926 . . . . 0.0 113.308 179.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.251 0 C-N-CA 126.492 1.917 . . . . 0.0 109.23 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 125.099 1.499 . . . . 0.0 110.238 175.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.183 0 C-N-CA 127.043 2.137 . . . . 0.0 114.536 178.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.029 0 CA-C-O 117.057 -1.968 . . . . 0.0 112.322 178.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-N 118.132 0.966 . . . . 0.0 108.53 179.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 176.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.953 0 C-N-CA 123.953 0.901 . . . . 0.0 112.838 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.474 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 -175.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.31 -1.112 0 C-N-CA 125.033 1.333 . . . . 0.0 108.093 175.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 177.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.923 0 CA-C-N 114.3 -1.318 . . . . 0.0 110.086 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-O 115.986 -1.959 . . . . 0.0 112.283 178.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.574 0 N-CA-C 116.569 2.063 . . . . 0.0 116.569 -174.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.589 0 CA-C-O 122.734 1.254 . . . . 0.0 112.284 -178.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 122.364 2.043 . . . . 0.0 115.085 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 177.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.412 0 N-CA-C 115.167 1.543 . . . . 0.0 115.167 178.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.1 0 O-C-N 118.314 -2.741 . . . . 0.0 114.607 -179.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.332 0 N-CA-C 115.965 1.839 . . . . 0.0 115.965 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.06 0 CA-C-N 120.289 1.139 . . . . 0.0 114.853 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.279 1.031 . . . . 0.0 112.045 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 O-C-N 125.062 1.476 . . . . 0.0 111.473 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.32 0 N-CA-C 116.947 2.203 . . . . 0.0 116.947 179.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 127.638 2.375 . . . . 0.0 115.58 -178.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.246 0.871 0 N-CA-C 117.097 2.258 . . . . 0.0 117.097 -178.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.055 0 CA-C-O 115.714 -2.714 . . . . 0.0 118.897 177.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.967 0 CA-C-N 124.154 3.977 . . . . 0.0 111.377 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-O 115.667 -2.111 . . . . 0.0 106.273 177.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.51 0 O-C-N 125.442 1.714 . . . . 0.0 107.639 -178.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.5 0 O-C-N 125.805 1.94 . . . . 0.0 111.492 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-O 122.138 0.971 . . . . 0.0 110.688 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.248 1.009 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.266 1.97 0 O-C-N 126.028 2.08 . . . . 0.0 116.191 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.81 0 CA-C-O 117.93 -1.034 . . . . 0.0 112.579 -178.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.485 1.914 0 N-CA-C 107.782 -2.127 . . . . 0.0 107.782 -178.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 125.363 2.506 . . . . 0.0 112.65 -177.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.846 0 CA-C-N 110.874 -2.875 . . . . 0.0 110.413 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.314 -0.965 0 O-C-N 126.385 2.303 . . . . 0.0 105.444 176.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.41 0 N-CA-C 117.727 2.491 . . . . 0.0 117.727 -176.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 178.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 103.8 -2.667 . . . . 0.0 103.8 177.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 CA-C-N 112.046 -2.343 . . . . 0.0 108.063 -179.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.252 1.281 0 N-CA-C 118.549 2.18 . . . . 0.0 118.549 -178.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.243 0.721 0 O-C-N 121.488 -1.007 . . . . 0.0 112.27 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.622 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -177.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.497 1.885 0 CA-C-O 124.266 1.984 . . . . 0.0 110.04 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.891 0 CA-C-N 113.415 -1.72 . . . . 0.0 108.353 -178.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 C--N 1.318 -0.465 0 CA-C-N 114.056 -1.429 . . . . 0.0 110.166 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 124.843 0.966 . . . . 0.0 110.02 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 1.015 0 CA-C-N 114.379 -1.282 . . . . 0.0 109.361 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.484 1.245 0 O-C-N 124.592 1.182 . . . . 0.0 110.213 178.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 CA--C 1.501 -0.808 0 N-CA-C 119.071 2.388 . . . . 0.0 119.071 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.827 0 O-C-N 120.872 -1.369 . . . . 0.0 109.084 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 178.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.264 1.867 0 O-C-N 125.744 1.902 . . . . 0.0 110.285 179.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.333 0.587 . . . . 0.0 111.917 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 115.712 -2.089 . . . . 0.0 108.8 -177.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.903 0 O-C-N 127.273 2.858 . . . . 0.0 110.367 178.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-O 117.656 -1.164 . . . . 0.0 109.556 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 O-C-N 128.147 3.404 . . . . 0.0 112.792 -177.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.262 0 O-C-N 125.123 1.514 . . . . 0.0 111.756 -178.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 123.862 0.865 . . . . 0.0 110.202 178.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.292 -1.901 0 N-CA-C 118.064 2.616 . . . . 0.0 118.064 175.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.313 -1.017 0 C-N-CA 124.058 0.943 . . . . 0.0 109.115 177.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 127.454 2.971 . . . . 0.0 111.348 -177.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.388 0 C-N-CA 129.991 3.316 . . . . 0.0 109.0 178.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.928 0 O-C-N 126.785 2.553 . . . . 0.0 113.785 -178.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 115.287 1.588 . . . . 0.0 115.287 -178.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 124.729 1.268 . . . . 0.0 109.913 178.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 124.001 0.921 . . . . 0.0 109.199 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.89 0 C-N-CA 123.482 0.713 . . . . 0.0 112.73 -178.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-O 117.038 -1.458 . . . . 0.0 111.017 -177.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 CA-C-O 116.76 -1.59 . . . . 0.0 110.71 -176.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.159 0 CA-C-N 119.563 1.074 . . . . 0.0 112.796 -178.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.431 -1.394 0 C-N-CA 124.921 1.288 . . . . 0.0 111.661 -178.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 125.007 1.442 . . . . 0.0 108.32 -179.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.727 0 O-C-N 126.562 2.414 . . . . 0.0 111.617 -178.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.019 0 C-N-CA 120.197 -0.601 . . . . 0.0 110.538 177.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.735 0 N-CA-C 114.263 1.208 . . . . 0.0 114.263 -177.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 125.627 1.571 . . . . 0.0 111.226 177.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 CA--C 1.503 -0.66 0 O-C-N 121.27 -0.894 . . . . 0.0 114.255 -179.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.51 -0.588 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 119.83 -1.794 . . . . 0.0 109.655 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 116.41 2.004 . . . . 0.0 116.41 -177.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 125.3 1.625 . . . . 0.0 110.297 -176.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 112.497 -2.138 . . . . 0.0 108.31 176.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 N-CA-C 104.496 -2.409 . . . . 0.0 104.496 178.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 125.405 1.691 . . . . 0.0 108.288 -177.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.302 -1.321 0 O-C-N 125.886 1.991 . . . . 0.0 110.992 -175.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.433 0 O-C-N 126.311 2.743 . . . . 0.0 115.043 -176.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.512 0 O-C-N 120.417 -1.427 . . . . 0.0 113.822 177.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.382 0 N-CA-C 115.618 1.71 . . . . 0.0 115.618 -177.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.264 1.845 0 CA-C-O 115.089 -2.386 . . . . 0.0 112.775 -178.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.261 1.659 0 CA-C-N 120.934 1.697 . . . . 0.0 114.863 -178.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.049 0 C-N-CA 127.03 2.132 . . . . 0.0 111.188 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 O-C-N 126.246 2.217 . . . . 0.0 110.443 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 125.416 1.487 . . . . 0.0 107.062 177.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.753 0 C-N-CA 126.57 1.948 . . . . 0.0 112.578 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-N 113.259 -1.791 . . . . 0.0 111.458 -177.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.138 0 C-N-CA 123.845 0.858 . . . . 0.0 113.203 -179.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 N-CA-C 104.188 -2.523 . . . . 0.0 104.188 177.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 104.825 -2.287 . . . . 0.0 104.825 178.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 128.533 3.645 . . . . 0.0 116.975 -175.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.338 0 N-CA-C 105.271 -3.132 . . . . 0.0 105.271 177.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.342 0 O-C-N 128.512 3.125 . . . . 0.0 106.513 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.838 0 C-N-CA 118.883 -1.127 . . . . 0.0 112.669 -177.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.741 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 177.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.818 0 CA-C-O 122.42 1.105 . . . . 0.0 108.079 176.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.267 0 C-N-CA 121.497 1.464 . . . . 0.0 111.883 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 177.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 105.374 -2.084 . . . . 0.0 105.374 177.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 122.803 1.287 . . . . 0.0 110.109 -176.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.159 0 CA-C-N 112.682 -2.053 . . . . 0.0 112.787 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.222 0 CA-C-N 118.135 0.968 . . . . 0.0 110.701 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.96 0 O-C-N 123.488 1.257 . . . . 0.0 111.618 176.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 103.186 -2.894 . . . . 0.0 103.186 178.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.306 -1.323 0 O-C-N 126.913 2.633 . . . . 0.0 112.201 -178.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.686 0 N-CA-C 107.542 -1.753 . . . . 0.0 107.542 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.973 0 O-C-N 128.182 3.426 . . . . 0.0 103.002 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.266 1.969 0 CA-C-O 115.952 -1.975 . . . . 0.0 108.836 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 C--N 1.293 -1.808 0 N-CA-C 104.112 -3.595 . . . . 0.0 104.112 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.527 0 CA-C-O 115.675 -2.107 . . . . 0.0 109.499 -177.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.569 1.695 0 N-CA-C 103.709 -2.7 . . . . 0.0 103.709 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.498 -1.057 0 O-C-N 127.687 3.117 . . . . 0.0 113.549 -178.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 106.328 -1.73 . . . . 0.0 106.328 -178.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.94 0 O-C-N 126.226 2.204 . . . . 0.0 107.627 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.603 -2.116 . . . . 0.0 110.271 -176.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.334 0 N-CA-C 100.615 -3.846 . . . . 0.0 100.615 -173.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.445 -1.329 0 CA-C-O 115.185 -2.09 . . . . 0.0 112.081 178.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.805 0 CA-C-N 120.704 1.593 . . . . 0.0 109.58 177.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.428 0 CA-C-N 112.83 -1.987 . . . . 0.0 110.632 178.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.312 0 O-C-N 120.889 -1.132 . . . . 0.0 110.434 178.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.164 0 O-C-N 125.817 1.948 . . . . 0.0 110.28 -178.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.289 -2.064 0 O-C-N 127.049 2.718 . . . . 0.0 107.042 178.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.625 0 CA-C-O 122.216 1.007 . . . . 0.0 112.907 177.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.92 0 O-C-N 117.463 -3.273 . . . . 0.0 114.61 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.571 1.769 0 O-C-N 125.621 1.826 . . . . 0.0 108.172 179.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.579 1 O-C-N 129.18 4.05 . . . . 0.0 109.724 179.197 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 120.028 -1.67 . . . . 0.0 111.841 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.302 -1.488 0 C-N-CA 125.091 1.356 . . . . 0.0 112.79 178.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.047 0 C-N-CA 127.976 2.703 . . . . 0.0 114.328 -178.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.273 2.3 0 C-N-CA 128.289 2.636 . . . . 0.0 111.501 -178.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 C-N-CA 117.598 -1.641 . . . . 0.0 107.348 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.068 0 CA-C-O 117.246 -1.359 . . . . 0.0 109.06 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.326 0 C-N-CA 122.833 2.355 . . . . 0.0 111.765 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 332' ' ' ASN . . . . . . . . . . . . . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.024 0 O-C-N 118.68 -2.513 . . . . 0.0 115.727 -177.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.045 0 C-N-CA 126.618 1.967 . . . . 0.0 110.975 -178.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.506 -0.912 0 C-N-CA 123.382 2.721 . . . . 0.0 115.518 177.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-N 121.288 1.858 . . . . 0.0 113.442 178.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 124.947 1.299 . . . . 0.0 108.018 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.244 0.809 0 C-N-CA 119.03 -1.068 . . . . 0.0 109.766 179.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.599 -0.688 . . . . 0.0 109.303 179.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 C--O 1.244 0.769 0 CA-C-N 114.227 -1.351 . . . . 0.0 109.731 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-N 119.599 1.091 . . . . 0.0 111.974 -177.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-O 117.024 -1.465 . . . . 0.0 111.85 -178.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 -178.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.458 0 CA-C-N 114.536 -1.211 . . . . 0.0 109.203 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-O 124.852 2.263 . . . . 0.0 109.413 178.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.499 -0.998 0 CA-C-N 112.793 -2.003 . . . . 0.0 111.311 178.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-N 121.119 1.781 . . . . 0.0 112.743 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.29 0 CA-C-O 118.417 -0.801 . . . . 0.0 112.284 -176.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 O-C-N 124.097 0.873 . . . . 0.0 109.117 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-O 115.213 -2.327 . . . . 0.0 110.948 -178.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.22 0 O-C-N 127.58 3.05 . . . . 0.0 110.99 178.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.796 0 C-N-CA 127.399 2.28 . . . . 0.0 113.784 -177.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 126.004 2.065 . . . . 0.0 112.137 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.363 0 CA-C-N 121.357 1.889 . . . . 0.0 114.835 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.603 0 C-N-CA 124.777 1.231 . . . . 0.0 111.437 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 178.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 178.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 O-C-N 124.845 1.341 . . . . 0.0 110.014 -178.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.352 0 CA-C-N 113.63 -1.623 . . . . 0.0 111.038 178.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 127.123 2.169 . . . . 0.0 112.519 -178.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 113.694 -1.594 . . . . 0.0 111.975 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.674 0 CA-C-O 116.782 -1.58 . . . . 0.0 111.706 -178.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 126.524 2.39 . . . . 0.0 107.504 178.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 C--N 1.312 -1.027 0 C-N-CA 126.394 1.878 . . . . 0.0 113.103 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.617 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.308 -1.197 0 O-C-N 124.448 1.092 . . . . 0.0 108.236 178.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 116.551 -1.69 . . . . 0.0 112.074 179.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.52 0 N-CA-C 115.896 1.813 . . . . 0.0 115.896 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 O-C-N 124.47 1.106 . . . . 0.0 111.105 -177.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.119 0 O-C-N 125.412 1.695 . . . . 0.0 111.334 -178.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.077 0 C-N-CA 127.237 2.215 . . . . 0.0 107.418 179.14 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 500' ' ' MXT . . . . . 0.819 ' O11' H232 ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 600' ' ' MXT . . . . . 0.74 H232 ' O12' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 16.2 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.294 0 O-C-N 125.664 1.852 . . . . 0.0 106.874 169.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.765 1 O-C-N 129.208 4.267 . . . . 0.0 107.94 -172.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.918 0 CA-C-N 121.041 1.746 . . . . 0.0 112.646 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.18 0 CA-C-N 114.255 -1.338 . . . . 0.0 110.958 178.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.194 0 C-N-CA 127.018 2.127 . . . . 0.0 110.218 -176.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.45 0 O-C-N 120.892 -1.13 . . . . 0.0 109.823 -176.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.26 1.638 0 N-CA-C 105.94 -1.874 . . . . 0.0 105.94 -178.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 127.14 2.775 . . . . 0.0 107.809 -178.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.758 0 CA-C-O 115.436 -2.221 . . . . 0.0 106.45 178.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.549 1 O-C-N 130.697 4.998 . . . . 0.0 106.318 178.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.135 0 CA-C-O 113.724 -3.036 . . . . 0.0 105.888 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-N 121.112 1.778 . . . . 0.0 110.055 -177.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.294 -1.827 0 O-C-N 125.916 2.01 . . . . 0.0 105.807 -176.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.367 0 O-C-N 127.498 2.999 . . . . 0.0 112.819 -176.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.949 0 O-C-N 127.216 2.822 . . . . 0.0 112.284 177.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.314 -0.943 0 O-C-N 119.085 -2.259 . . . . 0.0 111.925 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--O 1.226 -0.181 0 O-C-N 126.626 2.454 . . . . 0.0 109.676 -174.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.72 0 C-N-CA 124.657 3.571 . . . . 0.0 111.956 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.475 0.82 0 CA-C-N 111.746 -2.479 . . . . 0.0 106.737 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.255 0 O-C-N 127.448 3.341 . . . . 0.0 107.896 179.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.534 0 C-N-CA 121.837 1.692 . . . . 0.0 108.308 178.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.589 0 O-C-N 127.075 2.734 . . . . 0.0 112.175 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.992 0 C-N-CA 126.753 2.021 . . . . 0.0 114.903 -174.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.682 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 175.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 124.87 1.356 . . . . 0.0 113.695 -175.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.412 0 CA-C-O 117.435 -1.269 . . . . 0.0 112.782 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.314 0 CA-C-N 121.72 2.055 . . . . 0.0 114.928 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.309 -1.506 0 C-N-CA 122.177 1.918 . . . . 0.0 113.306 178.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.293 -1.877 0 C-N-CA 129.778 3.231 . . . . 0.0 112.269 178.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.313 -1.017 0 O-C-N 119.411 -2.056 . . . . 0.0 109.5 178.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.346 0 CA-C-O 115.577 -2.154 . . . . 0.0 109.219 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 127.392 2.932 . . . . 0.0 109.362 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.253 1.245 0 O-C-N 120.325 -1.485 . . . . 0.0 112.921 177.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-O 122.011 0.91 . . . . 0.0 113.344 179.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.274 0 C-N-CA 126.468 1.907 . . . . 0.0 109.232 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.802 0 O-C-N 125.107 1.504 . . . . 0.0 110.26 175.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.152 0 C-N-CA 127.03 2.132 . . . . 0.0 114.566 178.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.016 0 CA-C-O 117.095 -1.947 . . . . 0.0 112.345 178.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 118.11 0.955 . . . . 0.0 108.527 179.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 176.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.95 0 C-N-CA 123.91 0.884 . . . . 0.0 112.893 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.459 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 -175.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.31 -1.124 0 C-N-CA 125.052 1.341 . . . . 0.0 108.105 175.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 177.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.933 0 CA-C-N 114.304 -1.317 . . . . 0.0 110.114 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-O 115.986 -1.959 . . . . 0.0 112.264 178.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.571 0 C-N-CA 126.913 2.085 . . . . 0.0 116.601 -174.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.59 0 CA-C-O 122.711 1.243 . . . . 0.0 112.313 -178.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 122.347 2.032 . . . . 0.0 115.1 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 177.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.437 0 N-CA-C 115.167 1.543 . . . . 0.0 115.167 178.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.112 0 O-C-N 118.343 -2.723 . . . . 0.0 114.658 -179.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.303 0 N-CA-C 115.926 1.824 . . . . 0.0 115.926 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.502 -1.076 0 CA-C-N 120.317 1.149 . . . . 0.0 114.91 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.323 1.049 . . . . 0.0 112.024 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 O-C-N 125.117 1.511 . . . . 0.0 111.465 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.337 0 N-CA-C 116.926 2.195 . . . . 0.0 116.926 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 127.602 2.361 . . . . 0.0 115.575 -178.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.856 0 N-CA-C 117.141 2.274 . . . . 0.0 117.141 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.063 0 CA-C-O 115.69 -2.728 . . . . 0.0 118.865 177.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.925 0 CA-C-N 124.184 3.992 . . . . 0.0 111.397 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.483 1.175 0 CA-C-O 115.615 -2.136 . . . . 0.0 106.256 177.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.504 0 O-C-N 125.506 1.754 . . . . 0.0 107.609 -178.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.472 0 O-C-N 125.766 1.916 . . . . 0.0 111.522 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-O 122.077 0.941 . . . . 0.0 110.698 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.074 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.266 1.965 0 O-C-N 126.021 2.076 . . . . 0.0 116.245 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.78 0 CA-C-O 117.931 -1.033 . . . . 0.0 112.618 -178.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.485 1.953 0 N-CA-C 107.849 -2.1 . . . . 0.0 107.849 -178.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 125.342 2.496 . . . . 0.0 112.636 -177.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.246 0.884 0 CA-C-N 110.874 -2.876 . . . . 0.0 110.42 179.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -1.003 0 O-C-N 126.376 2.298 . . . . 0.0 105.416 176.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.399 0 N-CA-C 117.799 2.518 . . . . 0.0 117.799 -176.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 103.842 -2.651 . . . . 0.0 103.842 177.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 CA-C-N 112.03 -2.35 . . . . 0.0 108.04 -179.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.254 1.346 0 N-CA-C 118.542 2.177 . . . . 0.0 118.542 -178.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.663 0 O-C-N 121.464 -1.021 . . . . 0.0 112.242 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.621 0 CA-C-O 118.862 -0.589 . . . . 0.0 112.588 -177.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.839 0 CA-C-O 124.189 1.947 . . . . 0.0 110.026 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.875 0 CA-C-N 113.449 -1.705 . . . . 0.0 108.365 -178.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.463 0.483 0 CA-C-N 114.056 -1.429 . . . . 0.0 110.156 179.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 124.846 0.968 . . . . 0.0 109.977 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.995 0 CA-C-N 114.378 -1.283 . . . . 0.0 109.343 179.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.484 1.253 0 O-C-N 124.521 1.138 . . . . 0.0 110.194 178.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.853 0 N-CA-C 119.074 2.39 . . . . 0.0 119.074 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.833 0 O-C-N 120.89 -1.359 . . . . 0.0 109.06 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 107.067 -1.457 . . . . 0.0 107.067 178.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.914 0 O-C-N 125.654 1.846 . . . . 0.0 110.246 179.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.348 0.594 . . . . 0.0 111.929 -179.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 115.74 -2.076 . . . . 0.0 108.818 -177.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.898 0 O-C-N 127.261 2.851 . . . . 0.0 110.343 178.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 117.688 -1.149 . . . . 0.0 109.596 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 O-C-N 128.103 3.377 . . . . 0.0 112.837 -177.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.255 0 O-C-N 125.13 1.519 . . . . 0.0 111.753 -178.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 123.912 0.885 . . . . 0.0 110.262 178.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.292 -1.929 0 N-CA-C 117.996 2.591 . . . . 0.0 117.996 175.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.042 0 C-N-CA 124.063 0.945 . . . . 0.0 109.103 177.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 127.416 2.948 . . . . 0.0 111.37 -177.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.305 -1.369 0 C-N-CA 129.99 3.316 . . . . 0.0 109.041 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.246 0.914 0 O-C-N 126.796 2.56 . . . . 0.0 113.811 -178.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 115.288 1.588 . . . . 0.0 115.288 -178.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 124.776 1.298 . . . . 0.0 109.926 178.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.303 -1.42 0 C-N-CA 124.002 0.921 . . . . 0.0 109.176 179.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 123.485 0.714 . . . . 0.0 112.692 -178.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-O 116.979 -1.486 . . . . 0.0 111.002 -177.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.667 0 CA-C-O 116.746 -1.597 . . . . 0.0 110.683 -176.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.141 0 CA-C-N 119.608 1.095 . . . . 0.0 112.846 -178.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 124.999 1.32 . . . . 0.0 111.689 -178.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 125.034 1.459 . . . . 0.0 108.286 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 126.569 2.418 . . . . 0.0 111.634 -179.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.001 0 C-N-CA 120.179 -0.608 . . . . 0.0 110.493 177.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.728 0 N-CA-C 114.314 1.227 . . . . 0.0 114.314 -177.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 125.643 1.577 . . . . 0.0 111.248 177.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.466 0.657 0 O-C-N 121.307 -0.87 . . . . 0.0 114.261 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.51 -0.59 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 119.866 -1.771 . . . . 0.0 109.687 -179.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.921 0 N-CA-C 116.363 1.986 . . . . 0.0 116.363 -176.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 125.287 1.617 . . . . 0.0 110.316 -176.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 112.541 -2.118 . . . . 0.0 108.286 176.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 N-CA-C 104.514 -2.402 . . . . 0.0 104.514 178.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 125.396 1.685 . . . . 0.0 108.302 -177.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.268 0 O-C-N 125.916 2.01 . . . . 0.0 110.994 -175.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.466 0 O-C-N 126.266 2.719 . . . . 0.0 115.064 -176.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.257 1.483 0 O-C-N 120.427 -1.42 . . . . 0.0 113.88 177.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.366 0 N-CA-C 115.646 1.721 . . . . 0.0 115.646 -177.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.263 1.802 0 CA-C-O 115.092 -2.385 . . . . 0.0 112.793 -178.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.642 0 CA-C-N 120.912 1.687 . . . . 0.0 114.792 -177.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.059 0 C-N-CA 127.023 2.129 . . . . 0.0 111.217 -179.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 126.211 2.194 . . . . 0.0 110.486 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 125.393 1.477 . . . . 0.0 107.082 177.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.725 0 C-N-CA 126.518 1.927 . . . . 0.0 112.636 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.252 1.186 0 CA-C-N 113.174 -1.83 . . . . 0.0 111.396 -177.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.309 -1.171 0 C-N-CA 123.854 0.862 . . . . 0.0 113.171 -179.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 104.127 -2.546 . . . . 0.0 104.127 177.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 104.837 -2.283 . . . . 0.0 104.837 178.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 128.523 3.64 . . . . 0.0 116.972 -175.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.282 0 N-CA-C 105.307 -3.117 . . . . 0.0 105.307 177.075 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.343 0 O-C-N 128.46 3.094 . . . . 0.0 106.515 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.244 0.809 0 C-N-CA 118.94 -1.104 . . . . 0.0 112.748 -177.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.763 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 177.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.821 0 CA-C-O 122.447 1.117 . . . . 0.0 108.097 176.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.287 0 C-N-CA 121.529 1.486 . . . . 0.0 111.884 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 176.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 105.321 -2.103 . . . . 0.0 105.321 177.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 122.803 1.287 . . . . 0.0 110.076 -176.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.172 0 CA-C-N 112.664 -2.062 . . . . 0.0 112.737 178.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.236 0 CA-C-N 118.183 0.991 . . . . 0.0 110.768 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.931 0 O-C-N 123.488 1.257 . . . . 0.0 111.659 177.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 103.184 -2.895 . . . . 0.0 103.184 178.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.306 -1.316 0 O-C-N 126.856 2.597 . . . . 0.0 112.24 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.44 -1.658 0 N-CA-C 107.583 -1.737 . . . . 0.0 107.583 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.951 0 O-C-N 128.095 3.372 . . . . 0.0 103.023 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.266 1.94 0 CA-C-O 116.001 -1.952 . . . . 0.0 108.838 178.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.804 0 N-CA-C 104.083 -3.607 . . . . 0.0 104.083 -178.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.257 1.483 0 CA-C-O 115.689 -2.101 . . . . 0.0 109.526 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.725 0 N-CA-C 103.676 -2.713 . . . . 0.0 103.676 -176.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.066 0 O-C-N 127.737 3.148 . . . . 0.0 113.526 -178.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 106.325 -1.732 . . . . 0.0 106.325 -177.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.501 2.973 0 O-C-N 126.292 2.245 . . . . 0.0 107.649 -178.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 120.743 -1.445 . . . . 0.0 110.271 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.305 0 N-CA-C 100.644 -3.836 . . . . 0.0 100.644 -175.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.305 0 CA-C-O 115.202 -2.083 . . . . 0.0 112.057 178.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.808 0 CA-C-N 120.771 1.623 . . . . 0.0 109.573 177.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.405 0 CA-C-N 112.797 -2.001 . . . . 0.0 110.641 178.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.309 0 O-C-N 120.868 -1.145 . . . . 0.0 110.4 178.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.168 0 O-C-N 125.785 1.928 . . . . 0.0 110.29 -178.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.066 0 O-C-N 127.083 2.739 . . . . 0.0 107.015 178.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.598 0 CA-C-O 122.192 0.996 . . . . 0.0 112.928 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.884 0 O-C-N 117.449 -3.282 . . . . 0.0 114.6 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.813 0 O-C-N 125.592 1.808 . . . . 0.0 108.136 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.581 1 O-C-N 129.245 4.09 . . . . 0.0 109.775 179.176 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 120.058 -1.651 . . . . 0.0 111.88 179.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 125.082 1.353 . . . . 0.0 112.802 178.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.042 0 C-N-CA 128.058 2.742 . . . . 0.0 114.309 -178.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.283 0 C-N-CA 128.322 2.649 . . . . 0.0 111.502 -178.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 C-N-CA 117.593 -1.643 . . . . 0.0 107.371 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.289 -2.065 0 CA-C-O 117.289 -1.338 . . . . 0.0 109.025 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 N--CA 1.49 1.297 0 C-N-CA 122.862 2.374 . . . . 0.0 111.722 178.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 332' ' ' ASN . . . . . . . . . . . . . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.018 0 O-C-N 118.687 -2.508 . . . . 0.0 115.735 -178.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.059 0 C-N-CA 126.662 1.985 . . . . 0.0 110.894 -179.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.506 -0.887 0 C-N-CA 123.477 2.785 . . . . 0.0 115.463 178.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-N 121.271 1.851 . . . . 0.0 113.445 178.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 124.958 1.303 . . . . 0.0 107.991 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.822 0 C-N-CA 119.055 -1.058 . . . . 0.0 109.756 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.608 -0.682 . . . . 0.0 109.282 179.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 114.24 -1.346 . . . . 0.0 109.709 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-N 119.598 1.09 . . . . 0.0 111.899 -177.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 117.066 -1.445 . . . . 0.0 111.857 -177.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 -178.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.256 1.445 0 CA-C-N 114.554 -1.203 . . . . 0.0 109.193 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-O 124.864 2.268 . . . . 0.0 109.467 178.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.499 -1.014 0 CA-C-N 112.71 -2.041 . . . . 0.0 111.285 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-N 121.144 1.793 . . . . 0.0 112.734 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.323 0 CA-C-O 118.45 -0.786 . . . . 0.0 112.262 -176.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 O-C-N 124.05 0.844 . . . . 0.0 109.079 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-O 115.212 -2.328 . . . . 0.0 110.913 -178.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.229 0 O-C-N 127.598 3.061 . . . . 0.0 110.978 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.772 0 C-N-CA 127.402 2.281 . . . . 0.0 113.767 -177.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 125.946 2.029 . . . . 0.0 112.228 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.255 1.435 0 CA-C-N 121.268 1.849 . . . . 0.0 114.763 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.587 0 C-N-CA 124.766 1.226 . . . . 0.0 111.435 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 107.205 -1.405 . . . . 0.0 107.205 178.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 178.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 O-C-N 124.821 1.325 . . . . 0.0 110.027 -178.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 113.685 -1.598 . . . . 0.0 111.015 178.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.524 0 C-N-CA 127.167 2.187 . . . . 0.0 112.488 -178.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 113.708 -1.587 . . . . 0.0 111.972 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-O 116.776 -1.583 . . . . 0.0 111.673 -178.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 126.54 2.4 . . . . 0.0 107.572 178.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.437 -1.08 0 C-N-CA 126.394 1.878 . . . . 0.0 113.171 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.634 -179.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.192 0 O-C-N 124.431 1.082 . . . . 0.0 108.219 178.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 116.61 -1.662 . . . . 0.0 112.153 179.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.257 1.499 0 N-CA-C 115.963 1.838 . . . . 0.0 115.963 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 O-C-N 124.462 1.101 . . . . 0.0 111.097 -177.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.138 0 O-C-N 125.484 1.74 . . . . 0.0 111.343 -178.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.071 0 C-N-CA 127.299 2.24 . . . . 0.0 107.455 179.155 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 500' ' ' MXT . . . . . 0.848 ' O11' H232 ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 600' ' ' MXT . . . . . 0.756 ' O12' H232 ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.821 ' N ' ' O12' ' A' ' 500' ' ' MXT . 43.3 t -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.85 ' N ' ' O12' ' A' ' 500' ' ' MXT . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.305 0 O-C-N 125.664 1.852 . . . . 0.0 106.864 167.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.745 1 O-C-N 129.163 4.244 . . . . 0.0 107.953 -174.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.905 0 CA-C-N 121.013 1.733 . . . . 0.0 112.602 -177.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.502 2.163 0 CA-C-N 114.267 -1.333 . . . . 0.0 110.919 -177.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.195 0 C-N-CA 127.008 2.123 . . . . 0.0 110.238 -177.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.451 0 O-C-N 120.909 -1.12 . . . . 0.0 109.845 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.6 0 N-CA-C 105.936 -1.876 . . . . 0.0 105.936 -177.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 127.127 2.767 . . . . 0.0 107.774 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.767 0 CA-C-O 115.395 -2.241 . . . . 0.0 106.492 179.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.572 1 O-C-N 130.694 4.996 . . . . 0.0 106.298 176.578 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.148 0 CA-C-O 113.7 -3.048 . . . . 0.0 105.899 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.466 0 CA-C-N 121.161 1.8 . . . . 0.0 110.046 -177.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 125.883 1.99 . . . . 0.0 105.77 -176.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.347 0 O-C-N 127.564 3.04 . . . . 0.0 112.798 -176.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.267 1.978 0 O-C-N 127.246 2.841 . . . . 0.0 112.21 177.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 122.173 2.26 . . . . 0.0 111.903 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--O 1.225 -0.225 0 O-C-N 126.659 2.475 . . . . 0.0 109.725 -174.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--O 1.242 0.681 0 C-N-CA 124.624 3.55 . . . . 0.0 111.945 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.475 0.816 0 CA-C-N 111.759 -2.473 . . . . 0.0 106.775 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.238 0 O-C-N 127.516 3.377 . . . . 0.0 107.917 178.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.329 -0.498 0 O-C-N 124.311 1.69 . . . . 0.0 108.309 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.619 0 O-C-N 127.023 2.702 . . . . 0.0 112.175 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -2.015 0 C-N-CA 126.773 2.029 . . . . 0.0 114.926 -174.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.694 0 N-CA-C 107.729 -1.211 . . . . 0.0 107.729 175.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 124.917 1.386 . . . . 0.0 113.595 -175.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.424 0 CA-C-O 117.423 -1.275 . . . . 0.0 112.796 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.297 0 CA-C-N 121.763 2.074 . . . . 0.0 114.945 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.311 -1.438 0 C-N-CA 122.128 1.885 . . . . 0.0 113.328 178.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.898 0 C-N-CA 129.787 3.235 . . . . 0.0 112.247 178.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.033 0 O-C-N 119.425 -2.047 . . . . 0.0 109.509 178.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.559 1.326 0 CA-C-O 115.607 -2.139 . . . . 0.0 109.238 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 127.336 2.898 . . . . 0.0 109.371 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.22 0 O-C-N 120.309 -1.495 . . . . 0.0 112.882 177.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-O 122.012 0.91 . . . . 0.0 113.341 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.252 0 C-N-CA 126.502 1.921 . . . . 0.0 109.281 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 125.077 1.485 . . . . 0.0 110.245 175.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.159 0 C-N-CA 127.065 2.146 . . . . 0.0 114.583 178.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 1.987 0 CA-C-O 117.13 -1.928 . . . . 0.0 112.376 178.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 118.138 0.969 . . . . 0.0 108.523 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 175.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.949 0 C-N-CA 123.932 0.893 . . . . 0.0 112.823 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.478 0 N-CA-C 114.946 1.462 . . . . 0.0 114.946 -175.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.072 0 C-N-CA 124.995 1.318 . . . . 0.0 108.084 175.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 177.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.947 0 CA-C-N 114.278 -1.328 . . . . 0.0 110.112 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-O 116.02 -1.943 . . . . 0.0 112.341 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.56 0 N-CA-C 116.554 2.057 . . . . 0.0 116.554 -174.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.57 0 CA-C-O 122.722 1.248 . . . . 0.0 112.295 -178.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 122.347 2.032 . . . . 0.0 115.142 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 177.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.408 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 178.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.114 0 O-C-N 118.372 -2.705 . . . . 0.0 114.666 -179.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.253 1.258 0 N-CA-C 115.984 1.846 . . . . 0.0 115.984 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.068 0 CA-C-N 120.225 1.116 . . . . 0.0 114.868 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.306 1.042 . . . . 0.0 112.038 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 O-C-N 125.042 1.464 . . . . 0.0 111.455 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.32 0 N-CA-C 116.931 2.197 . . . . 0.0 116.931 179.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 127.624 2.37 . . . . 0.0 115.57 -178.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.863 0 N-CA-C 117.155 2.28 . . . . 0.0 117.155 -178.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.068 0 CA-C-O 115.721 -2.71 . . . . 0.0 118.934 177.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.924 0 CA-C-N 124.125 3.963 . . . . 0.0 111.417 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-O 115.593 -2.146 . . . . 0.0 106.269 177.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.513 0 O-C-N 125.522 1.764 . . . . 0.0 107.608 -178.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.49 0 O-C-N 125.736 1.897 . . . . 0.0 111.477 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.368 0 CA-C-O 122.164 0.983 . . . . 0.0 110.696 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.248 1.022 0 N-CA-C 106.719 -1.586 . . . . 0.0 106.719 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 1.984 0 O-C-N 126.048 2.093 . . . . 0.0 116.173 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.264 1.82 0 CA-C-O 117.928 -1.034 . . . . 0.0 112.597 -178.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.485 1.931 0 N-CA-C 107.825 -2.11 . . . . 0.0 107.825 -178.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 125.324 2.488 . . . . 0.0 112.666 -177.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.839 0 CA-C-N 110.893 -2.867 . . . . 0.0 110.397 179.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.314 -0.954 0 O-C-N 126.346 2.279 . . . . 0.0 105.417 176.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.401 0 N-CA-C 117.788 2.514 . . . . 0.0 117.788 -176.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 178.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 103.849 -2.648 . . . . 0.0 103.849 177.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 CA-C-N 111.97 -2.377 . . . . 0.0 108.038 -179.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.309 0 N-CA-C 118.523 2.169 . . . . 0.0 118.523 -178.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.243 0.728 0 O-C-N 121.507 -0.996 . . . . 0.0 112.24 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.66 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -177.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-O 124.205 1.955 . . . . 0.0 110.057 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.915 0 CA-C-N 113.432 -1.713 . . . . 0.0 108.339 -178.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.463 0.47 0 CA-C-N 114.058 -1.428 . . . . 0.0 110.157 179.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 124.86 0.976 . . . . 0.0 109.969 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.993 0 CA-C-N 114.375 -1.284 . . . . 0.0 109.361 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.484 1.228 0 O-C-N 124.519 1.137 . . . . 0.0 110.177 178.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.31 -0.864 0 N-CA-C 119.048 2.379 . . . . 0.0 119.048 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.854 0 O-C-N 120.888 -1.36 . . . . 0.0 109.085 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 178.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.875 0 O-C-N 125.719 1.887 . . . . 0.0 110.308 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.339 0.59 . . . . 0.0 111.858 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 115.733 -2.08 . . . . 0.0 108.826 -177.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.912 0 O-C-N 127.236 2.835 . . . . 0.0 110.351 178.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 117.63 -1.176 . . . . 0.0 109.598 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 O-C-N 128.174 3.422 . . . . 0.0 112.822 -177.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.263 0 O-C-N 125.106 1.504 . . . . 0.0 111.718 -178.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 123.931 0.892 . . . . 0.0 110.23 178.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 118.047 2.61 . . . . 0.0 118.047 175.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.313 -1.02 0 C-N-CA 124.063 0.945 . . . . 0.0 109.052 177.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 127.436 2.96 . . . . 0.0 111.319 -177.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.305 -1.351 0 C-N-CA 129.977 3.311 . . . . 0.0 108.962 178.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.942 0 O-C-N 126.752 2.533 . . . . 0.0 113.737 -178.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 115.284 1.587 . . . . 0.0 115.284 -178.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 124.666 1.229 . . . . 0.0 109.937 178.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.303 -1.436 0 C-N-CA 124.045 0.938 . . . . 0.0 109.161 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 123.502 0.721 . . . . 0.0 112.719 -178.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-O 116.976 -1.487 . . . . 0.0 110.981 -177.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.668 0 CA-C-O 116.758 -1.591 . . . . 0.0 110.683 -176.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.165 0 CA-C-N 119.554 1.07 . . . . 0.0 112.849 -178.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 124.976 1.31 . . . . 0.0 111.636 -178.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 125.049 1.468 . . . . 0.0 108.335 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 126.547 2.404 . . . . 0.0 111.641 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 0.985 0 C-N-CA 120.166 -0.614 . . . . 0.0 110.533 177.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 -177.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.522 0 C-N-CA 125.724 1.609 . . . . 0.0 111.272 177.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.466 0.668 0 O-C-N 121.301 -0.875 . . . . 0.0 114.31 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.647 0 O-C-N 119.829 -1.794 . . . . 0.0 109.669 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.902 0 N-CA-C 116.353 1.983 . . . . 0.0 116.353 -176.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 125.306 1.629 . . . . 0.0 110.29 -176.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 112.538 -2.119 . . . . 0.0 108.325 176.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 N-CA-C 104.526 -2.398 . . . . 0.0 104.526 178.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 125.443 1.714 . . . . 0.0 108.276 -177.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.272 0 O-C-N 125.868 1.98 . . . . 0.0 110.993 -175.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.433 0 O-C-N 126.277 2.725 . . . . 0.0 115.002 -176.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.551 0 O-C-N 120.462 -1.399 . . . . 0.0 113.841 177.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.367 0 N-CA-C 115.578 1.695 . . . . 0.0 115.578 -176.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.263 1.815 0 CA-C-O 115.149 -2.357 . . . . 0.0 112.826 -178.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.65 0 CA-C-N 120.863 1.665 . . . . 0.0 114.847 -178.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.034 0 C-N-CA 127.026 2.13 . . . . 0.0 111.251 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 O-C-N 126.212 2.195 . . . . 0.0 110.488 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 125.413 1.485 . . . . 0.0 107.087 177.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.715 0 C-N-CA 126.558 1.943 . . . . 0.0 112.607 178.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.171 0 CA-C-N 113.189 -1.823 . . . . 0.0 111.42 -177.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.132 0 C-N-CA 123.774 0.83 . . . . 0.0 113.178 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 104.142 -2.54 . . . . 0.0 104.142 177.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 104.85 -2.278 . . . . 0.0 104.85 178.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 128.49 3.618 . . . . 0.0 116.99 -175.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.318 0 N-CA-C 105.271 -3.132 . . . . 0.0 105.271 177.118 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.346 0 O-C-N 128.448 3.087 . . . . 0.0 106.541 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.244 0.804 0 C-N-CA 118.925 -1.11 . . . . 0.0 112.722 -177.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 177.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.839 0 CA-C-O 122.444 1.116 . . . . 0.0 108.091 176.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.295 0 C-N-CA 121.502 1.468 . . . . 0.0 111.849 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 177.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 105.331 -2.1 . . . . 0.0 105.331 177.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 122.822 1.296 . . . . 0.0 110.098 -176.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.176 0 CA-C-N 112.643 -2.071 . . . . 0.0 112.746 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.307 -1.253 0 CA-C-N 118.182 0.991 . . . . 0.0 110.749 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.945 0 O-C-N 123.502 1.264 . . . . 0.0 111.65 177.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.022 0 N-CA-C 103.164 -2.902 . . . . 0.0 103.164 178.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.341 0 O-C-N 126.858 2.599 . . . . 0.0 112.242 -178.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.69 0 N-CA-C 107.575 -1.74 . . . . 0.0 107.575 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.94 0 O-C-N 128.058 3.349 . . . . 0.0 103.017 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.994 0 CA-C-O 115.977 -1.963 . . . . 0.0 108.874 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.839 0 N-CA-C 104.063 -3.615 . . . . 0.0 104.063 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.516 0 CA-C-O 115.662 -2.113 . . . . 0.0 109.492 -178.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.746 0 N-CA-C 103.687 -2.708 . . . . 0.0 103.687 -178.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.498 -1.057 0 O-C-N 127.734 3.146 . . . . 0.0 113.532 -178.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 106.375 -1.713 . . . . 0.0 106.375 -177.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.499 2.884 0 O-C-N 126.248 2.217 . . . . 0.0 107.654 -179.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.074 -2.427 . . . . 0.0 110.271 -177.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--N 1.302 -1.472 0 N-CA-C 100.648 -3.834 . . . . 0.0 100.648 -175.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.316 0 CA-C-O 115.23 -2.071 . . . . 0.0 112.093 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.813 0 CA-C-N 120.715 1.598 . . . . 0.0 109.629 177.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.274 2.378 0 CA-C-N 112.808 -1.996 . . . . 0.0 110.631 178.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.292 0 O-C-N 120.931 -1.106 . . . . 0.0 110.39 178.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.556 1.177 0 O-C-N 125.764 1.915 . . . . 0.0 110.262 -178.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.069 0 O-C-N 127.032 2.708 . . . . 0.0 107.02 178.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.484 -1.582 0 CA-C-O 122.2 1.0 . . . . 0.0 112.937 177.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.442 -0.868 0 O-C-N 117.529 -3.232 . . . . 0.0 114.576 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.792 0 O-C-N 125.557 1.786 . . . . 0.0 108.166 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.55 1 O-C-N 129.267 4.105 . . . . 0.0 109.75 179.209 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 120.065 -1.647 . . . . 0.0 111.83 179.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 125.08 1.352 . . . . 0.0 112.788 178.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.067 0 C-N-CA 128.03 2.729 . . . . 0.0 114.275 -178.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.248 0 C-N-CA 128.255 2.622 . . . . 0.0 111.521 -178.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 C-N-CA 117.559 -1.656 . . . . 0.0 107.366 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.071 0 CA-C-O 117.257 -1.354 . . . . 0.0 109.042 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.312 0 C-N-CA 122.884 2.389 . . . . 0.0 111.786 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 332' ' ' ASN . . . . . . . . . . . . . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.013 0 O-C-N 118.693 -2.504 . . . . 0.0 115.709 -178.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.046 0 C-N-CA 126.657 1.983 . . . . 0.0 110.918 178.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.955 0 C-N-CA 123.393 2.729 . . . . 0.0 115.508 175.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-N 121.284 1.856 . . . . 0.0 113.492 177.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 124.96 1.304 . . . . 0.0 108.043 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.839 0 C-N-CA 119.063 -1.055 . . . . 0.0 109.752 179.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.601 -0.687 . . . . 0.0 109.291 179.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 C--O 1.244 0.764 0 CA-C-N 114.286 -1.325 . . . . 0.0 109.735 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 119.584 1.084 . . . . 0.0 111.931 -177.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-O 117.089 -1.434 . . . . 0.0 111.848 -178.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 -178.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.451 0 CA-C-N 114.577 -1.192 . . . . 0.0 109.183 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-O 124.9 2.286 . . . . 0.0 109.414 178.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.032 0 CA-C-N 112.757 -2.02 . . . . 0.0 111.287 178.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-N 121.158 1.799 . . . . 0.0 112.768 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.253 1.272 0 CA-C-O 118.463 -0.78 . . . . 0.0 112.3 -176.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 O-C-N 124.104 0.878 . . . . 0.0 109.106 -179.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-O 115.265 -2.303 . . . . 0.0 110.868 -178.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.309 -1.184 0 O-C-N 127.559 3.037 . . . . 0.0 111.019 179.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.788 0 C-N-CA 127.395 2.278 . . . . 0.0 113.751 -177.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 125.98 2.05 . . . . 0.0 112.16 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.365 0 CA-C-N 121.345 1.884 . . . . 0.0 114.862 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.587 0 C-N-CA 124.762 1.225 . . . . 0.0 111.427 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 107.113 -1.44 . . . . 0.0 107.113 178.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 178.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 O-C-N 124.812 1.32 . . . . 0.0 110.059 -178.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 113.64 -1.618 . . . . 0.0 111.037 178.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 127.157 2.183 . . . . 0.0 112.506 -178.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 113.708 -1.587 . . . . 0.0 111.953 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.663 0 CA-C-O 116.783 -1.58 . . . . 0.0 111.67 -178.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 126.555 2.409 . . . . 0.0 107.554 178.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.026 0 C-N-CA 126.394 1.878 . . . . 0.0 113.155 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.626 -179.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.163 0 O-C-N 124.404 1.065 . . . . 0.0 108.228 178.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-O 116.548 -1.692 . . . . 0.0 112.11 179.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.503 0 N-CA-C 115.916 1.821 . . . . 0.0 115.916 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.688 0 O-C-N 124.421 1.076 . . . . 0.0 111.118 -177.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.126 0 O-C-N 125.486 1.741 . . . . 0.0 111.338 -178.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.051 0 C-N-CA 127.296 2.238 . . . . 0.0 107.453 179.054 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 500' ' ' MXT . . . . . 0.883 H232 ' O11' ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 600' ' ' MXT . . . . . 0.884 H232 ' O11' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.1 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.506 2.335 0 O-C-N 125.664 1.852 . . . . 0.0 106.868 169.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.717 1 O-C-N 129.174 4.25 . . . . 0.0 107.94 -176.064 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.909 0 CA-C-N 120.968 1.713 . . . . 0.0 112.629 -178.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.502 2.147 0 CA-C-N 114.26 -1.336 . . . . 0.0 110.956 -176.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.185 0 C-N-CA 126.976 2.11 . . . . 0.0 110.202 -177.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.256 1.421 0 O-C-N 120.858 -1.151 . . . . 0.0 109.829 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.554 0 N-CA-C 105.899 -1.889 . . . . 0.0 105.899 179.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 127.155 2.785 . . . . 0.0 107.815 176.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.779 0 CA-C-O 115.499 -2.191 . . . . 0.0 106.41 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.529 1 O-C-N 130.65 4.969 . . . . 0.0 106.279 174.036 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.166 0 CA-C-O 113.728 -3.034 . . . . 0.0 105.878 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.435 0 CA-C-N 121.177 1.808 . . . . 0.0 109.991 -177.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.296 -1.758 0 O-C-N 125.862 1.976 . . . . 0.0 105.798 -176.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.35 0 O-C-N 127.483 2.989 . . . . 0.0 112.733 -176.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.926 0 O-C-N 127.227 2.829 . . . . 0.0 112.257 177.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.901 0 O-C-N 119.072 -2.268 . . . . 0.0 111.927 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.33 -0.252 0 O-C-N 126.671 2.482 . . . . 0.0 109.699 -174.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.716 0 C-N-CA 124.648 3.565 . . . . 0.0 111.948 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.842 0 CA-C-N 111.724 -2.489 . . . . 0.0 106.795 179.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.315 -1.231 0 O-C-N 127.451 3.343 . . . . 0.0 107.857 179.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.521 0 O-C-N 124.304 1.686 . . . . 0.0 108.296 178.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.6 0 O-C-N 127.063 2.727 . . . . 0.0 112.123 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.986 0 C-N-CA 126.758 2.023 . . . . 0.0 114.915 -174.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.696 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 175.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 124.892 1.37 . . . . 0.0 113.62 -175.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.434 0 CA-C-O 117.412 -1.28 . . . . 0.0 112.798 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.314 0 CA-C-N 121.711 2.051 . . . . 0.0 114.945 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.478 0 C-N-CA 122.189 1.926 . . . . 0.0 113.322 178.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.292 -1.892 0 C-N-CA 129.773 3.229 . . . . 0.0 112.306 178.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.028 0 O-C-N 119.436 -2.04 . . . . 0.0 109.545 177.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.342 0 CA-C-O 115.581 -2.152 . . . . 0.0 109.256 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 127.408 2.942 . . . . 0.0 109.392 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.253 1.259 0 O-C-N 120.329 -1.482 . . . . 0.0 112.845 177.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-O 122.007 0.908 . . . . 0.0 113.308 179.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.271 0 C-N-CA 126.511 1.924 . . . . 0.0 109.271 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.78 0 O-C-N 125.128 1.517 . . . . 0.0 110.28 175.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.16 0 C-N-CA 127.092 2.157 . . . . 0.0 114.599 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 1.982 0 CA-C-O 117.083 -1.954 . . . . 0.0 112.387 178.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.42 0 CA-C-N 118.117 0.959 . . . . 0.0 108.48 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 107.294 -1.373 . . . . 0.0 107.294 176.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.963 0 C-N-CA 123.938 0.895 . . . . 0.0 112.883 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.455 0 N-CA-C 114.973 1.471 . . . . 0.0 114.973 -175.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.087 0 C-N-CA 125.008 1.323 . . . . 0.0 108.092 175.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 107.929 -1.138 . . . . 0.0 107.929 177.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.954 0 CA-C-N 114.311 -1.313 . . . . 0.0 110.097 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-O 115.953 -1.975 . . . . 0.0 112.34 178.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.567 0 N-CA-C 116.567 2.062 . . . . 0.0 116.567 -174.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.583 0 CA-C-O 122.741 1.258 . . . . 0.0 112.297 -178.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 122.397 2.065 . . . . 0.0 115.116 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 177.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.447 0 N-CA-C 115.191 1.552 . . . . 0.0 115.191 178.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.131 0 O-C-N 118.311 -2.743 . . . . 0.0 114.649 -179.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.298 0 N-CA-C 116.006 1.854 . . . . 0.0 116.006 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.041 0 CA-C-N 120.216 1.113 . . . . 0.0 114.857 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.264 1.025 . . . . 0.0 112.012 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 O-C-N 125.098 1.499 . . . . 0.0 111.471 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.255 1.344 0 N-CA-C 116.913 2.19 . . . . 0.0 116.913 179.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.674 0 C-N-CA 127.654 2.382 . . . . 0.0 115.593 -178.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.246 0.871 0 N-CA-C 117.123 2.268 . . . . 0.0 117.123 -178.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.06 0 CA-C-O 115.663 -2.743 . . . . 0.0 118.861 177.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.948 0 CA-C-N 124.17 3.985 . . . . 0.0 111.424 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-O 115.616 -2.135 . . . . 0.0 106.293 177.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.501 0 O-C-N 125.544 1.778 . . . . 0.0 107.678 -179.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.454 0 O-C-N 125.759 1.912 . . . . 0.0 111.513 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-O 122.087 0.946 . . . . 0.0 110.727 179.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.07 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.266 1.96 0 O-C-N 126.038 2.086 . . . . 0.0 116.202 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.801 0 CA-C-O 117.876 -1.059 . . . . 0.0 112.552 -178.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.485 1.929 0 N-CA-C 107.797 -2.121 . . . . 0.0 107.797 -178.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 125.298 2.475 . . . . 0.0 112.69 -177.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.853 0 CA-C-N 110.916 -2.856 . . . . 0.0 110.407 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -0.981 0 O-C-N 126.319 2.262 . . . . 0.0 105.414 176.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.347 0 N-CA-C 117.771 2.508 . . . . 0.0 117.771 -176.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 178.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 103.831 -2.655 . . . . 0.0 103.831 177.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 CA-C-N 111.992 -2.367 . . . . 0.0 108.026 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.307 0 N-CA-C 118.532 2.173 . . . . 0.0 118.532 -178.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 O-C-N 121.445 -1.033 . . . . 0.0 112.245 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.672 0 O-C-N 123.681 0.613 . . . . 0.0 112.567 -177.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.865 0 CA-C-O 124.277 1.989 . . . . 0.0 110.035 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.895 0 CA-C-N 113.422 -1.717 . . . . 0.0 108.401 -178.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.464 0.502 0 CA-C-N 114.021 -1.445 . . . . 0.0 110.151 179.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 124.779 0.929 . . . . 0.0 110.009 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 1.0 0 CA-C-N 114.405 -1.27 . . . . 0.0 109.367 179.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.211 0 O-C-N 124.506 1.129 . . . . 0.0 110.22 178.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 CA--C 1.501 -0.839 0 N-CA-C 119.035 2.374 . . . . 0.0 119.035 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.822 0 O-C-N 120.87 -1.37 . . . . 0.0 109.038 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.295 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 178.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.884 0 O-C-N 125.724 1.89 . . . . 0.0 110.296 179.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.342 0.591 . . . . 0.0 111.919 -179.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 115.702 -2.094 . . . . 0.0 108.815 -177.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.92 0 O-C-N 127.259 2.85 . . . . 0.0 110.362 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-O 117.629 -1.177 . . . . 0.0 109.544 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 O-C-N 128.14 3.4 . . . . 0.0 112.788 -177.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.273 0 O-C-N 125.092 1.495 . . . . 0.0 111.698 -178.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 123.903 0.881 . . . . 0.0 110.157 178.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 118.056 2.613 . . . . 0.0 118.056 175.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.053 0 C-N-CA 124.112 0.965 . . . . 0.0 109.07 177.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 127.376 2.922 . . . . 0.0 111.359 -177.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.387 0 C-N-CA 129.998 3.319 . . . . 0.0 109.003 178.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.929 0 O-C-N 126.795 2.559 . . . . 0.0 113.745 -178.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 115.288 1.588 . . . . 0.0 115.288 -178.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 124.671 1.232 . . . . 0.0 109.972 178.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.303 -1.414 0 C-N-CA 124.048 0.939 . . . . 0.0 109.204 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.878 0 C-N-CA 123.525 0.73 . . . . 0.0 112.703 -178.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 1.5 p -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-O 117.011 -1.471 . . . . 0.0 110.995 -177.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 CA-C-O 116.759 -1.591 . . . . 0.0 110.7 -176.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.159 0 CA-C-N 119.547 1.067 . . . . 0.0 112.801 -178.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 124.91 1.284 . . . . 0.0 111.716 -178.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 125.007 1.442 . . . . 0.0 108.291 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 126.574 2.422 . . . . 0.0 111.634 -178.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.025 0 C-N-CA 120.173 -0.611 . . . . 0.0 110.496 177.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 114.309 1.226 . . . . 0.0 114.309 -177.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 125.724 1.61 . . . . 0.0 111.236 177.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 C--O 1.243 0.673 0 O-C-N 121.339 -0.851 . . . . 0.0 114.238 -179.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.51 -0.588 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 179.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 119.856 -1.778 . . . . 0.0 109.646 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 116.364 1.987 . . . . 0.0 116.364 -176.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 125.259 1.599 . . . . 0.0 110.313 -176.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--O 1.212 -0.914 0 CA-C-N 112.495 -2.139 . . . . 0.0 108.283 176.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 N-CA-C 104.492 -2.41 . . . . 0.0 104.492 178.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 125.433 1.708 . . . . 0.0 108.283 -177.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.301 0 O-C-N 125.87 1.981 . . . . 0.0 111.019 -175.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.442 0 O-C-N 126.29 2.732 . . . . 0.0 115.004 -176.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.259 1.559 0 O-C-N 120.406 -1.434 . . . . 0.0 113.851 177.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.39 0 N-CA-C 115.613 1.708 . . . . 0.0 115.613 -176.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.264 1.862 0 CA-C-O 115.085 -2.388 . . . . 0.0 112.765 -178.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.637 0 CA-C-N 120.959 1.709 . . . . 0.0 114.806 -177.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.311 -1.077 0 C-N-CA 127.045 2.138 . . . . 0.0 111.15 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 O-C-N 126.181 2.175 . . . . 0.0 110.475 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 125.369 1.468 . . . . 0.0 107.066 177.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.737 0 C-N-CA 126.575 1.95 . . . . 0.0 112.617 178.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.252 1.191 0 CA-C-N 113.211 -1.813 . . . . 0.0 111.43 -177.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.14 0 C-N-CA 123.85 0.86 . . . . 0.0 113.191 -179.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 104.162 -2.533 . . . . 0.0 104.162 177.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 104.818 -2.289 . . . . 0.0 104.818 178.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 128.492 3.62 . . . . 0.0 116.989 -175.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.335 0 N-CA-C 105.285 -3.126 . . . . 0.0 105.285 177.091 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.273 2.321 0 O-C-N 128.507 3.122 . . . . 0.0 106.505 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.859 0 C-N-CA 118.932 -1.107 . . . . 0.0 112.706 -177.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.773 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 177.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.831 0 CA-C-O 122.464 1.126 . . . . 0.0 108.044 176.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.445 -1.332 0 C-N-CA 121.534 1.49 . . . . 0.0 111.878 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.313 -0.996 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 176.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 105.357 -2.09 . . . . 0.0 105.357 177.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 122.801 1.286 . . . . 0.0 110.081 -176.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.25 1.133 0 CA-C-N 112.676 -2.057 . . . . 0.0 112.792 178.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.212 0 CA-C-N 118.146 0.973 . . . . 0.0 110.734 179.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.916 0 O-C-N 123.462 1.243 . . . . 0.0 111.624 177.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.051 0 N-CA-C 103.144 -2.91 . . . . 0.0 103.144 179.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.333 0 O-C-N 126.913 2.633 . . . . 0.0 112.233 -178.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.44 -1.638 0 N-CA-C 107.565 -1.744 . . . . 0.0 107.565 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.977 0 O-C-N 128.113 3.383 . . . . 0.0 102.966 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.984 0 CA-C-O 116.03 -1.938 . . . . 0.0 108.812 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 C--N 1.293 -1.814 0 N-CA-C 104.115 -3.594 . . . . 0.0 104.115 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.257 1.495 0 CA-C-O 115.656 -2.116 . . . . 0.0 109.484 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.569 1.711 0 N-CA-C 103.683 -2.71 . . . . 0.0 103.683 -177.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.07 0 O-C-N 127.711 3.132 . . . . 0.0 113.55 -176.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 106.34 -1.726 . . . . 0.0 106.34 -179.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.501 2.981 0 O-C-N 126.258 2.224 . . . . 0.0 107.626 -178.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 120.669 -1.489 . . . . 0.0 110.271 -177.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.335 1 O-C-N 115.465 -4.522 . . . . 0.0 100.657 -173.602 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.445 -1.324 0 CA-C-O 115.22 -2.075 . . . . 0.0 112.13 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.272 -2.799 0 CA-C-N 120.725 1.602 . . . . 0.0 109.577 177.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.274 2.394 0 CA-C-N 112.823 -1.989 . . . . 0.0 110.609 178.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.281 0 O-C-N 120.918 -1.114 . . . . 0.0 110.366 178.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.148 0 O-C-N 125.774 1.921 . . . . 0.0 110.27 -178.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.07 0 O-C-N 127.007 2.692 . . . . 0.0 107.031 178.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.61 0 CA-C-O 122.22 1.01 . . . . 0.0 112.903 177.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.909 0 O-C-N 117.426 -3.296 . . . . 0.0 114.587 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.815 0 O-C-N 125.581 1.801 . . . . 0.0 108.166 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.299 -1.588 1 O-C-N 129.21 4.069 . . . . 0.0 109.732 179.185 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 120.023 -1.673 . . . . 0.0 111.879 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 125.084 1.354 . . . . 0.0 112.769 178.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.049 0 C-N-CA 127.977 2.703 . . . . 0.0 114.343 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.267 0 C-N-CA 128.276 2.63 . . . . 0.0 111.491 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 C-N-CA 117.591 -1.644 . . . . 0.0 107.398 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.098 0 CA-C-O 117.312 -1.327 . . . . 0.0 108.992 -179.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 N--CA 1.49 1.287 0 C-N-CA 122.883 2.389 . . . . 0.0 111.755 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 332' ' ' ASN . . . . . . . . . . . . . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.018 0 O-C-N 118.652 -2.53 . . . . 0.0 115.69 -178.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.311 -1.081 0 C-N-CA 126.621 1.968 . . . . 0.0 110.924 -178.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.936 0 C-N-CA 123.41 2.74 . . . . 0.0 115.527 177.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-N 121.242 1.837 . . . . 0.0 113.409 178.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 124.979 1.312 . . . . 0.0 108.01 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.244 0.813 0 C-N-CA 119.092 -1.043 . . . . 0.0 109.75 179.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.547 -0.72 . . . . 0.0 109.258 179.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 114.254 -1.339 . . . . 0.0 109.741 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 119.554 1.07 . . . . 0.0 111.954 -177.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-O 117.059 -1.448 . . . . 0.0 111.862 -178.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 -178.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.494 0 CA-C-N 114.62 -1.173 . . . . 0.0 109.135 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-O 124.891 2.281 . . . . 0.0 109.442 178.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.499 -1.012 0 CA-C-N 112.705 -2.043 . . . . 0.0 111.258 178.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-N 121.123 1.783 . . . . 0.0 112.758 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.31 0 CA-C-O 118.421 -0.8 . . . . 0.0 112.279 -176.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 O-C-N 124.105 0.878 . . . . 0.0 109.126 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-O 115.171 -2.347 . . . . 0.0 110.883 -178.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.227 0 O-C-N 127.611 3.069 . . . . 0.0 111.014 179.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.768 0 C-N-CA 127.436 2.294 . . . . 0.0 113.741 -177.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 125.931 2.02 . . . . 0.0 112.2 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.255 1.409 0 CA-C-N 121.293 1.861 . . . . 0.0 114.796 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.554 0 C-N-CA 124.821 1.248 . . . . 0.0 111.42 179.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 178.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 178.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 O-C-N 124.827 1.329 . . . . 0.0 110.015 -178.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 113.666 -1.607 . . . . 0.0 111.05 178.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 127.092 2.157 . . . . 0.0 112.536 -178.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 113.697 -1.592 . . . . 0.0 111.959 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.659 0 CA-C-O 116.738 -1.601 . . . . 0.0 111.661 -178.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 126.526 2.391 . . . . 0.0 107.543 178.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 C--N 1.312 -1.038 0 C-N-CA 126.407 1.883 . . . . 0.0 113.147 179.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.592 -179.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.308 -1.221 0 O-C-N 124.477 1.11 . . . . 0.0 108.238 178.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-O 116.577 -1.677 . . . . 0.0 112.146 179.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.5 0 N-CA-C 115.881 1.808 . . . . 0.0 115.881 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 O-C-N 124.474 1.109 . . . . 0.0 111.103 -177.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.134 0 O-C-N 125.472 1.732 . . . . 0.0 111.371 -178.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.098 0 C-N-CA 127.274 2.23 . . . . 0.0 107.454 179.112 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 500' ' ' MXT . . . . . 0.599 H222 ' O11' ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 600' ' ' MXT . . . . . 0.847 H232 ' O11' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.316 0 O-C-N 125.664 1.852 . . . . 0.0 106.845 170.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.738 1 O-C-N 129.223 4.275 . . . . 0.0 107.996 -176.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.924 0 CA-C-N 121.021 1.737 . . . . 0.0 112.621 -177.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.194 0 CA-C-N 114.197 -1.365 . . . . 0.0 110.923 -178.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.189 0 C-N-CA 126.991 2.116 . . . . 0.0 110.219 -177.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.474 0 O-C-N 120.87 -1.144 . . . . 0.0 109.848 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.597 0 N-CA-C 105.913 -1.884 . . . . 0.0 105.913 -178.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 127.138 2.774 . . . . 0.0 107.833 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.57 1.74 0 CA-C-O 115.494 -2.193 . . . . 0.0 106.439 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.562 1 O-C-N 130.642 4.964 . . . . 0.0 106.336 171.267 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.137 0 CA-C-O 113.74 -3.029 . . . . 0.0 105.836 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.452 0 CA-C-N 121.094 1.77 . . . . 0.0 110.057 -177.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.768 0 O-C-N 125.848 1.967 . . . . 0.0 105.771 -176.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.386 0 O-C-N 127.469 2.981 . . . . 0.0 112.756 -176.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.937 0 O-C-N 127.188 2.805 . . . . 0.0 112.26 177.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 122.12 2.236 . . . . 0.0 111.877 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.33 -0.242 0 O-C-N 126.69 2.494 . . . . 0.0 109.658 -174.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.727 0 C-N-CA 124.634 3.556 . . . . 0.0 111.941 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.836 0 CA-C-N 111.735 -2.484 . . . . 0.0 106.761 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.313 -1.317 0 O-C-N 127.497 3.367 . . . . 0.0 107.91 178.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.329 -0.467 0 O-C-N 124.279 1.673 . . . . 0.0 108.349 178.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.59 0 O-C-N 127.017 2.698 . . . . 0.0 112.172 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.291 -1.968 0 C-N-CA 126.765 2.026 . . . . 0.0 114.869 -174.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.691 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 174.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 124.864 1.352 . . . . 0.0 113.618 -175.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.257 1.448 0 CA-C-O 117.439 -1.267 . . . . 0.0 112.817 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.338 0 CA-C-N 121.755 2.07 . . . . 0.0 114.93 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.311 -1.433 0 C-N-CA 122.176 1.918 . . . . 0.0 113.342 178.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.873 0 C-N-CA 129.734 3.214 . . . . 0.0 112.326 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.052 0 O-C-N 119.475 -2.016 . . . . 0.0 109.506 177.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.331 0 CA-C-O 115.614 -2.136 . . . . 0.0 109.273 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 127.371 2.919 . . . . 0.0 109.384 179.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.21 0 O-C-N 120.292 -1.505 . . . . 0.0 112.888 177.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-O 122.011 0.91 . . . . 0.0 113.355 178.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.252 0 C-N-CA 126.444 1.898 . . . . 0.0 109.242 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.296 -1.761 0 O-C-N 125.036 1.46 . . . . 0.0 110.23 175.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.145 0 C-N-CA 127.06 2.144 . . . . 0.0 114.63 178.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 1.989 0 CA-C-O 117.096 -1.947 . . . . 0.0 112.347 178.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-N 118.127 0.963 . . . . 0.0 108.537 179.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 176.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.961 0 C-N-CA 123.873 0.869 . . . . 0.0 112.832 -179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.256 1.442 0 N-CA-C 114.948 1.462 . . . . 0.0 114.948 -175.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.09 0 C-N-CA 125.039 1.335 . . . . 0.0 108.087 175.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 177.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.939 0 CA-C-N 114.257 -1.338 . . . . 0.0 110.075 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 115.984 -1.96 . . . . 0.0 112.31 178.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.579 0 C-N-CA 126.856 2.063 . . . . 0.0 116.541 -174.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.602 0 CA-C-O 122.754 1.264 . . . . 0.0 112.296 -178.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.448 -1.181 0 C-N-CA 122.366 2.044 . . . . 0.0 115.095 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 177.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.446 0 N-CA-C 115.166 1.543 . . . . 0.0 115.166 178.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.117 0 O-C-N 118.318 -2.739 . . . . 0.0 114.626 -179.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.253 1.268 0 N-CA-C 115.93 1.826 . . . . 0.0 115.93 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.068 0 CA-C-N 120.28 1.136 . . . . 0.0 114.889 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.302 1.041 . . . . 0.0 112.0 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 O-C-N 125.088 1.493 . . . . 0.0 111.467 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.255 1.344 0 N-CA-C 116.912 2.19 . . . . 0.0 116.912 179.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 127.651 2.38 . . . . 0.0 115.62 -178.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.246 0.896 0 N-CA-C 117.082 2.253 . . . . 0.0 117.082 -178.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.482 -2.013 0 CA-C-O 115.678 -2.734 . . . . 0.0 118.834 177.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.946 0 CA-C-N 124.168 3.984 . . . . 0.0 111.395 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-O 115.636 -2.126 . . . . 0.0 106.233 177.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.511 0 O-C-N 125.531 1.769 . . . . 0.0 107.663 -179.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.491 0 O-C-N 125.783 1.927 . . . . 0.0 111.463 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-O 122.08 0.943 . . . . 0.0 110.723 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.066 0 N-CA-C 106.74 -1.578 . . . . 0.0 106.74 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 1.985 0 O-C-N 126.021 2.076 . . . . 0.0 116.18 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.262 1.757 0 CA-C-O 117.943 -1.027 . . . . 0.0 112.617 -178.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 2.001 0 N-CA-C 107.771 -2.131 . . . . 0.0 107.771 -178.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 125.328 2.49 . . . . 0.0 112.716 -177.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.865 0 CA-C-N 110.9 -2.864 . . . . 0.0 110.408 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -0.985 0 O-C-N 126.349 2.281 . . . . 0.0 105.438 176.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.404 0 N-CA-C 117.802 2.519 . . . . 0.0 117.802 -176.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 178.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 103.868 -2.641 . . . . 0.0 103.868 177.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 CA-C-N 111.993 -2.367 . . . . 0.0 108.059 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.304 0 N-CA-C 118.563 2.185 . . . . 0.0 118.563 -178.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.707 0 O-C-N 121.48 -1.012 . . . . 0.0 112.221 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.606 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -177.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.865 0 CA-C-O 124.202 1.954 . . . . 0.0 110.087 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.247 0.925 0 CA-C-N 113.448 -1.706 . . . . 0.0 108.353 -178.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 C--N 1.318 -0.443 0 CA-C-N 114.061 -1.427 . . . . 0.0 110.193 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 124.823 0.955 . . . . 0.0 110.033 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 1.008 0 CA-C-N 114.342 -1.299 . . . . 0.0 109.38 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.484 1.271 0 O-C-N 124.561 1.163 . . . . 0.0 110.21 178.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 CA--C 1.501 -0.832 0 N-CA-C 119.095 2.398 . . . . 0.0 119.095 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.848 0 O-C-N 120.891 -1.358 . . . . 0.0 109.1 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 107.068 -1.456 . . . . 0.0 107.068 178.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.264 1.864 0 O-C-N 125.701 1.875 . . . . 0.0 110.262 179.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.34 0.59 . . . . 0.0 111.879 -179.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 115.737 -2.078 . . . . 0.0 108.792 -177.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.263 2.852 . . . . 0.0 110.388 178.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 117.665 -1.159 . . . . 0.0 109.622 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 O-C-N 128.187 3.43 . . . . 0.0 112.823 -177.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.262 0 O-C-N 125.121 1.513 . . . . 0.0 111.764 -178.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 123.872 0.869 . . . . 0.0 110.206 178.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.942 0 N-CA-C 118.03 2.604 . . . . 0.0 118.03 175.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.311 -1.077 0 C-N-CA 124.11 0.964 . . . . 0.0 109.086 177.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 127.453 2.971 . . . . 0.0 111.374 -177.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.378 0 C-N-CA 129.948 3.299 . . . . 0.0 108.971 178.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.966 0 O-C-N 126.804 2.565 . . . . 0.0 113.778 -178.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 115.261 1.578 . . . . 0.0 115.261 -178.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 124.726 1.266 . . . . 0.0 109.932 178.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.406 0 C-N-CA 123.968 0.907 . . . . 0.0 109.207 179.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.315 -0.898 0 C-N-CA 123.496 0.718 . . . . 0.0 112.731 -178.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-O 117.035 -1.46 . . . . 0.0 111.025 -177.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 CA-C-O 116.787 -1.577 . . . . 0.0 110.724 -176.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.176 0 CA-C-N 119.551 1.068 . . . . 0.0 112.81 -178.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 124.956 1.302 . . . . 0.0 111.685 -178.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 125.033 1.458 . . . . 0.0 108.283 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 126.52 2.387 . . . . 0.0 111.627 -178.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.249 1.034 0 C-N-CA 120.216 -0.593 . . . . 0.0 110.485 177.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 -177.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 125.651 1.58 . . . . 0.0 111.269 177.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.466 0.692 0 O-C-N 121.314 -0.866 . . . . 0.0 114.21 -179.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 119.8 -1.812 . . . . 0.0 109.664 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 116.352 1.982 . . . . 0.0 116.352 -176.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 125.27 1.606 . . . . 0.0 110.303 -176.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 112.534 -2.121 . . . . 0.0 108.32 175.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 N-CA-C 104.531 -2.396 . . . . 0.0 104.531 178.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 125.401 1.688 . . . . 0.0 108.31 -177.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.302 -1.32 0 O-C-N 125.926 2.016 . . . . 0.0 110.959 -175.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.425 0 O-C-N 126.25 2.71 . . . . 0.0 115.087 -176.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.257 1.49 0 O-C-N 120.423 -1.423 . . . . 0.0 113.834 177.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.356 0 N-CA-C 115.617 1.71 . . . . 0.0 115.617 -176.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.264 1.83 0 CA-C-O 115.095 -2.383 . . . . 0.0 112.744 -178.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.647 0 CA-C-N 120.935 1.698 . . . . 0.0 114.816 -178.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.311 -1.072 0 C-N-CA 127.109 2.163 . . . . 0.0 111.164 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 O-C-N 126.206 2.191 . . . . 0.0 110.44 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 125.36 1.464 . . . . 0.0 107.062 177.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.729 0 C-N-CA 126.579 1.952 . . . . 0.0 112.599 179.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.145 0 CA-C-N 113.185 -1.825 . . . . 0.0 111.456 -177.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.148 0 C-N-CA 123.828 0.851 . . . . 0.0 113.196 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 N-CA-C 104.117 -2.549 . . . . 0.0 104.117 177.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 104.833 -2.284 . . . . 0.0 104.833 178.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 128.459 3.599 . . . . 0.0 116.957 -175.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.323 0 N-CA-C 105.329 -3.108 . . . . 0.0 105.329 177.078 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.273 2.313 0 O-C-N 128.487 3.11 . . . . 0.0 106.504 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.82 0 C-N-CA 118.914 -1.115 . . . . 0.0 112.678 -177.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.765 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 177.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.837 0 CA-C-O 122.458 1.123 . . . . 0.0 108.059 176.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.304 0 C-N-CA 121.486 1.458 . . . . 0.0 111.879 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 177.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 105.32 -2.104 . . . . 0.0 105.32 177.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 122.812 1.291 . . . . 0.0 110.121 -176.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.191 0 CA-C-N 112.649 -2.069 . . . . 0.0 112.723 178.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.23 0 CA-C-N 118.214 1.007 . . . . 0.0 110.752 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.453 -0.895 0 O-C-N 123.486 1.256 . . . . 0.0 111.615 177.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 103.139 -2.911 . . . . 0.0 103.139 178.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.306 -1.313 0 O-C-N 126.868 2.605 . . . . 0.0 112.233 -178.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.44 -1.64 0 N-CA-C 107.55 -1.75 . . . . 0.0 107.55 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.29 -1.981 0 O-C-N 128.162 3.414 . . . . 0.0 103.042 179.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.975 0 CA-C-O 116.006 -1.949 . . . . 0.0 108.836 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.806 0 N-CA-C 104.054 -3.619 . . . . 0.0 104.054 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.531 0 CA-C-O 115.677 -2.106 . . . . 0.0 109.487 -178.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.569 1.708 0 N-CA-C 103.685 -2.709 . . . . 0.0 103.685 -178.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.077 0 O-C-N 127.712 3.132 . . . . 0.0 113.535 -178.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 106.38 -1.711 . . . . 0.0 106.38 -177.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.501 2.972 0 O-C-N 126.281 2.238 . . . . 0.0 107.614 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 118.927 -2.513 . . . . 0.0 110.271 -177.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--N 1.305 -1.336 0 N-CA-C 100.618 -3.845 . . . . 0.0 100.618 -172.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.445 -1.341 0 CA-C-O 115.185 -2.089 . . . . 0.0 112.062 178.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.841 0 CA-C-N 120.71 1.596 . . . . 0.0 109.543 177.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.274 2.393 0 CA-C-N 112.839 -1.982 . . . . 0.0 110.576 178.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.432 -1.343 0 O-C-N 120.951 -1.093 . . . . 0.0 110.435 178.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.556 1.194 0 O-C-N 125.818 1.949 . . . . 0.0 110.26 -178.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.067 0 O-C-N 127.079 2.737 . . . . 0.0 107.058 178.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.618 0 CA-C-O 122.204 1.002 . . . . 0.0 112.908 177.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.898 0 O-C-N 117.469 -3.269 . . . . 0.0 114.586 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.571 1.777 0 O-C-N 125.638 1.836 . . . . 0.0 108.161 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.568 1 O-C-N 129.196 4.06 . . . . 0.0 109.734 179.225 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 120.032 -1.668 . . . . 0.0 111.857 179.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 125.078 1.351 . . . . 0.0 112.742 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.29 -2.006 0 C-N-CA 128.024 2.726 . . . . 0.0 114.326 -177.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.273 2.318 0 C-N-CA 128.251 2.62 . . . . 0.0 111.524 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 C-N-CA 117.612 -1.635 . . . . 0.0 107.38 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.095 0 CA-C-O 117.283 -1.341 . . . . 0.0 109.034 -179.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.319 0 C-N-CA 122.868 2.378 . . . . 0.0 111.784 178.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 332' ' ' ASN . . . . . . . . . . . . . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.022 0 O-C-N 118.668 -2.52 . . . . 0.0 115.678 -178.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.313 -1.007 0 C-N-CA 126.649 1.98 . . . . 0.0 110.903 178.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.958 0 C-N-CA 123.417 2.745 . . . . 0.0 115.47 178.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.71 0 CA-C-N 121.326 1.875 . . . . 0.0 113.453 178.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 124.981 1.312 . . . . 0.0 108.018 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.843 0 C-N-CA 119.055 -1.058 . . . . 0.0 109.748 179.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.54 -0.725 . . . . 0.0 109.272 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 114.24 -1.345 . . . . 0.0 109.718 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-N 119.608 1.095 . . . . 0.0 111.959 -177.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 117.058 -1.448 . . . . 0.0 111.861 -178.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 115.023 1.49 . . . . 0.0 115.023 -178.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.459 0 CA-C-N 114.548 -1.205 . . . . 0.0 109.17 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-O 124.883 2.278 . . . . 0.0 109.461 178.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.024 0 CA-C-N 112.71 -2.041 . . . . 0.0 111.316 178.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-N 121.091 1.769 . . . . 0.0 112.769 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.322 0 CA-C-O 118.435 -0.793 . . . . 0.0 112.29 -176.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 O-C-N 124.091 0.869 . . . . 0.0 109.075 -179.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-O 115.204 -2.331 . . . . 0.0 110.87 -178.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.213 0 O-C-N 127.585 3.053 . . . . 0.0 111.013 178.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.769 0 C-N-CA 127.378 2.271 . . . . 0.0 113.765 -177.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 126.04 2.088 . . . . 0.0 112.171 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.253 1.321 0 CA-C-N 121.286 1.857 . . . . 0.0 114.818 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.578 0 C-N-CA 124.836 1.254 . . . . 0.0 111.43 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 178.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 178.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 O-C-N 124.788 1.305 . . . . 0.0 110.036 -178.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 113.646 -1.615 . . . . 0.0 111.048 178.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 127.122 2.169 . . . . 0.0 112.529 -178.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 113.708 -1.587 . . . . 0.0 112.002 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.241 0.647 0 CA-C-O 116.776 -1.583 . . . . 0.0 111.654 -178.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 126.493 2.371 . . . . 0.0 107.55 178.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.437 -1.078 0 C-N-CA 126.367 1.867 . . . . 0.0 113.181 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.078 -0.965 . . . . 0.0 109.628 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.308 -1.203 0 O-C-N 124.448 1.093 . . . . 0.0 108.239 178.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.141 179.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.545 0 N-CA-C 115.907 1.817 . . . . 0.0 115.907 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 O-C-N 124.534 1.146 . . . . 0.0 111.108 -177.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.309 -1.158 0 O-C-N 125.512 1.758 . . . . 0.0 111.356 -178.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.032 0 C-N-CA 127.269 2.228 . . . . 0.0 107.44 179.171 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 500' ' ' MXT . . . . . 0.773 ' O11' H232 ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 600' ' ' MXT . . . . . 0.734 ' O12' H232 ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 20.3 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.3 0 O-C-N 125.664 1.852 . . . . 0.0 106.874 169.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.767 1 O-C-N 129.191 4.258 . . . . 0.0 107.997 -175.469 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.939 0 CA-C-N 121.069 1.758 . . . . 0.0 112.612 -178.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.502 2.161 0 CA-C-N 114.281 -1.327 . . . . 0.0 110.902 -177.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.179 0 C-N-CA 126.965 2.106 . . . . 0.0 110.233 -177.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.256 1.445 0 O-C-N 120.864 -1.147 . . . . 0.0 109.782 179.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.604 0 N-CA-C 105.945 -1.872 . . . . 0.0 105.945 -177.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 127.154 2.784 . . . . 0.0 107.838 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.782 0 CA-C-O 115.442 -2.218 . . . . 0.0 106.398 178.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 C--N 1.277 -2.547 1 O-C-N 130.671 4.982 . . . . 0.0 106.263 178.454 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.166 0 CA-C-O 113.75 -3.024 . . . . 0.0 105.843 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-N 121.089 1.768 . . . . 0.0 110.027 -177.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 125.924 2.015 . . . . 0.0 105.826 -176.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.254 1.339 0 O-C-N 127.517 3.011 . . . . 0.0 112.758 -176.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.961 0 O-C-N 127.222 2.826 . . . . 0.0 112.276 177.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 122.152 2.251 . . . . 0.0 111.963 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--O 1.225 -0.223 0 O-C-N 126.571 2.419 . . . . 0.0 109.719 -174.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.73 0 C-N-CA 124.652 3.568 . . . . 0.0 111.956 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.869 0 CA-C-N 111.756 -2.474 . . . . 0.0 106.739 179.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.264 0 O-C-N 127.519 3.379 . . . . 0.0 107.914 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.538 0 CA-C-O 116.11 -1.704 . . . . 0.0 108.36 178.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.61 0 O-C-N 127.065 2.728 . . . . 0.0 112.175 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.995 0 C-N-CA 126.769 2.028 . . . . 0.0 114.95 -174.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.57 1.726 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 175.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.3 0 O-C-N 124.929 1.393 . . . . 0.0 113.629 -175.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.429 0 CA-C-O 117.391 -1.29 . . . . 0.0 112.765 -179.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.315 0 CA-C-N 121.772 2.078 . . . . 0.0 114.976 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.311 -1.444 0 C-N-CA 122.2 1.933 . . . . 0.0 113.341 178.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.87 0 C-N-CA 129.756 3.222 . . . . 0.0 112.271 178.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.048 0 O-C-N 119.42 -2.05 . . . . 0.0 109.49 177.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.329 0 CA-C-O 115.587 -2.149 . . . . 0.0 109.255 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 127.434 2.959 . . . . 0.0 109.392 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.253 1.243 0 O-C-N 120.279 -1.513 . . . . 0.0 112.866 177.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 122.083 0.944 . . . . 0.0 113.367 179.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.245 0 C-N-CA 126.446 1.899 . . . . 0.0 109.242 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.785 0 O-C-N 125.128 1.518 . . . . 0.0 110.232 175.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.162 0 C-N-CA 127.063 2.145 . . . . 0.0 114.622 178.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.014 0 CA-C-O 117.147 -1.918 . . . . 0.0 112.373 178.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.42 0 CA-C-N 118.11 0.955 . . . . 0.0 108.502 179.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 176.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.953 0 C-N-CA 123.948 0.899 . . . . 0.0 112.862 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.473 0 N-CA-C 114.986 1.476 . . . . 0.0 114.986 -175.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.31 -1.128 0 C-N-CA 125.056 1.342 . . . . 0.0 108.141 175.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 177.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.952 0 CA-C-N 114.327 -1.306 . . . . 0.0 110.054 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-O 115.962 -1.97 . . . . 0.0 112.32 178.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.577 0 C-N-CA 126.904 2.082 . . . . 0.0 116.556 -174.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.591 0 CA-C-O 122.734 1.254 . . . . 0.0 112.277 -178.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 122.355 2.037 . . . . 0.0 115.084 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 177.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.415 0 N-CA-C 115.187 1.551 . . . . 0.0 115.187 178.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.106 0 O-C-N 118.37 -2.707 . . . . 0.0 114.623 -179.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.325 0 N-CA-C 116.012 1.856 . . . . 0.0 116.012 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.049 0 CA-C-N 120.267 1.131 . . . . 0.0 114.906 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.288 1.035 . . . . 0.0 112.026 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 O-C-N 125.09 1.494 . . . . 0.0 111.464 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.255 1.346 0 N-CA-C 116.934 2.198 . . . . 0.0 116.934 179.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 127.673 2.389 . . . . 0.0 115.513 -178.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.85 0 N-CA-C 117.098 2.259 . . . . 0.0 117.098 -178.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.482 -2.031 0 CA-C-O 115.709 -2.717 . . . . 0.0 118.851 177.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.954 0 CA-C-N 124.161 3.981 . . . . 0.0 111.363 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-O 115.624 -2.131 . . . . 0.0 106.28 177.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.302 -1.483 0 O-C-N 125.524 1.765 . . . . 0.0 107.649 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.491 0 O-C-N 125.811 1.945 . . . . 0.0 111.506 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-O 122.048 0.927 . . . . 0.0 110.728 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.054 0 N-CA-C 106.746 -1.576 . . . . 0.0 106.746 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 1.993 0 O-C-N 126.01 2.068 . . . . 0.0 116.185 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.79 0 CA-C-O 117.884 -1.055 . . . . 0.0 112.578 -178.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 1.977 0 N-CA-C 107.803 -2.119 . . . . 0.0 107.803 -178.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 125.395 2.521 . . . . 0.0 112.655 -177.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.867 0 CA-C-N 110.889 -2.869 . . . . 0.0 110.417 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.314 -0.966 0 O-C-N 126.341 2.276 . . . . 0.0 105.409 176.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.365 0 N-CA-C 117.74 2.496 . . . . 0.0 117.74 -176.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 178.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 103.865 -2.643 . . . . 0.0 103.865 177.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 CA-C-N 111.981 -2.372 . . . . 0.0 108.017 -179.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.298 0 N-CA-C 118.579 2.192 . . . . 0.0 118.579 -178.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.7 0 O-C-N 121.458 -1.025 . . . . 0.0 112.207 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.673 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 -177.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.861 0 CA-C-O 124.233 1.968 . . . . 0.0 110.033 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.245 0.864 0 CA-C-N 113.438 -1.71 . . . . 0.0 108.398 -178.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 C--N 1.318 -0.424 0 CA-C-N 114.041 -1.436 . . . . 0.0 110.239 179.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 124.822 0.954 . . . . 0.0 110.014 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.997 0 CA-C-N 114.417 -1.265 . . . . 0.0 109.348 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.484 1.231 0 O-C-N 124.561 1.163 . . . . 0.0 110.229 178.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 CA--C 1.501 -0.828 0 N-CA-C 119.058 2.383 . . . . 0.0 119.058 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.212 -0.869 0 O-C-N 120.84 -1.388 . . . . 0.0 109.105 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 107.068 -1.456 . . . . 0.0 107.068 178.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.914 0 O-C-N 125.668 1.855 . . . . 0.0 110.252 179.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.279 0.562 . . . . 0.0 111.867 -179.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 115.802 -2.047 . . . . 0.0 108.806 -177.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.293 -1.869 0 O-C-N 127.205 2.816 . . . . 0.0 110.337 178.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-O 117.611 -1.185 . . . . 0.0 109.589 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 O-C-N 128.16 3.413 . . . . 0.0 112.84 -177.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.276 0 O-C-N 125.098 1.499 . . . . 0.0 111.676 -178.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 123.906 0.882 . . . . 0.0 110.235 178.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 118.032 2.605 . . . . 0.0 118.032 175.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.054 0 C-N-CA 124.093 0.957 . . . . 0.0 109.076 177.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 127.447 2.967 . . . . 0.0 111.318 -177.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 129.95 3.3 . . . . 0.0 109.001 178.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.922 0 O-C-N 126.751 2.532 . . . . 0.0 113.746 -178.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 115.23 1.567 . . . . 0.0 115.23 -178.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 124.728 1.267 . . . . 0.0 109.949 178.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 124.051 0.94 . . . . 0.0 109.208 179.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.883 0 C-N-CA 123.492 0.717 . . . . 0.0 112.741 -178.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-O 117.031 -1.461 . . . . 0.0 110.982 -177.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.64 0 CA-C-O 116.773 -1.584 . . . . 0.0 110.698 -176.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.136 0 CA-C-N 119.56 1.073 . . . . 0.0 112.846 -178.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 124.971 1.309 . . . . 0.0 111.693 -178.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 125.027 1.455 . . . . 0.0 108.325 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 126.568 2.418 . . . . 0.0 111.594 -178.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.008 0 C-N-CA 120.189 -0.604 . . . . 0.0 110.481 177.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 114.322 1.23 . . . . 0.0 114.322 -177.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.519 0 C-N-CA 125.634 1.573 . . . . 0.0 111.259 177.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 C--O 1.243 0.68 0 O-C-N 121.275 -0.891 . . . . 0.0 114.257 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.51 -0.596 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 119.817 -1.802 . . . . 0.0 109.673 -179.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.899 0 N-CA-C 116.317 1.969 . . . . 0.0 116.317 -176.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 125.308 1.63 . . . . 0.0 110.328 -176.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 112.556 -2.111 . . . . 0.0 108.282 176.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 N-CA-C 104.507 -2.405 . . . . 0.0 104.507 178.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 125.4 1.687 . . . . 0.0 108.268 -177.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 N--CA 1.475 1.26 0 O-C-N 125.886 1.991 . . . . 0.0 110.971 -175.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.466 0 O-C-N 126.311 2.743 . . . . 0.0 115.017 -176.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.525 0 O-C-N 120.418 -1.426 . . . . 0.0 113.821 177.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.256 1.397 0 N-CA-C 115.585 1.698 . . . . 0.0 115.585 -176.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.264 1.816 0 CA-C-O 115.062 -2.399 . . . . 0.0 112.752 -178.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.617 0 CA-C-N 120.923 1.692 . . . . 0.0 114.824 -177.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.311 -1.066 0 C-N-CA 127.034 2.134 . . . . 0.0 111.198 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 O-C-N 126.252 2.22 . . . . 0.0 110.435 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 125.384 1.474 . . . . 0.0 107.032 177.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.746 0 C-N-CA 126.597 1.959 . . . . 0.0 112.551 179.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.159 0 CA-C-N 113.191 -1.822 . . . . 0.0 111.41 -177.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.309 -1.159 0 C-N-CA 123.777 0.831 . . . . 0.0 113.185 -179.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 104.135 -2.542 . . . . 0.0 104.135 177.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 104.854 -2.276 . . . . 0.0 104.854 178.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 128.483 3.614 . . . . 0.0 116.989 -175.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.584 4.36 0 N-CA-C 105.305 -3.118 . . . . 0.0 105.305 177.098 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.37 0 O-C-N 128.493 3.114 . . . . 0.0 106.53 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.244 0.795 0 C-N-CA 118.949 -1.1 . . . . 0.0 112.687 -177.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.763 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 177.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.244 0.805 0 CA-C-O 122.436 1.112 . . . . 0.0 108.133 176.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.266 0 C-N-CA 121.484 1.456 . . . . 0.0 111.888 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.978 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 176.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 105.329 -2.1 . . . . 0.0 105.329 177.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 122.786 1.279 . . . . 0.0 110.111 -176.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.25 1.131 0 CA-C-N 112.655 -2.066 . . . . 0.0 112.739 179.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.211 0 CA-C-N 118.161 0.98 . . . . 0.0 110.71 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.453 -0.882 0 O-C-N 123.529 1.278 . . . . 0.0 111.64 176.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 103.141 -2.911 . . . . 0.0 103.141 178.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.306 -1.31 0 O-C-N 126.894 2.621 . . . . 0.0 112.242 -178.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.713 0 N-CA-C 107.578 -1.739 . . . . 0.0 107.578 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.954 0 O-C-N 128.163 3.414 . . . . 0.0 102.98 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.99 0 CA-C-O 115.982 -1.961 . . . . 0.0 108.827 179.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.544 1.876 0 N-CA-C 104.069 -3.612 . . . . 0.0 104.069 -178.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.507 0 CA-C-O 115.689 -2.101 . . . . 0.0 109.492 -177.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.569 1.705 0 N-CA-C 103.681 -2.711 . . . . 0.0 103.681 -179.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.074 0 O-C-N 127.694 3.121 . . . . 0.0 113.549 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 106.372 -1.714 . . . . 0.0 106.372 -177.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.501 2.986 0 O-C-N 126.227 2.205 . . . . 0.0 107.593 -179.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.222 -2.34 . . . . 0.0 110.271 -177.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.332 0 O-C-N 116.464 -3.897 . . . . 0.0 100.595 177.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.308 0 CA-C-O 115.213 -2.078 . . . . 0.0 112.041 -178.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.829 0 CA-C-N 120.769 1.622 . . . . 0.0 109.552 177.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.435 0 CA-C-N 112.824 -1.989 . . . . 0.0 110.624 178.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.291 0 O-C-N 120.905 -1.122 . . . . 0.0 110.434 178.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.162 0 O-C-N 125.862 1.976 . . . . 0.0 110.232 -178.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.102 0 O-C-N 127.018 2.698 . . . . 0.0 107.039 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.484 -1.579 0 CA-C-O 122.159 0.98 . . . . 0.0 112.942 177.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.442 -0.86 0 O-C-N 117.532 -3.23 . . . . 0.0 114.567 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.571 1.784 0 O-C-N 125.626 1.829 . . . . 0.0 108.178 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.299 -1.594 1 O-C-N 129.23 4.081 . . . . 0.0 109.772 179.161 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 120.065 -1.647 . . . . 0.0 111.853 179.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.504 0 C-N-CA 125.091 1.356 . . . . 0.0 112.775 178.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.028 0 C-N-CA 128.011 2.72 . . . . 0.0 114.31 -179.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.273 2.301 0 C-N-CA 128.345 2.658 . . . . 0.0 111.472 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 C-N-CA 117.617 -1.633 . . . . 0.0 107.36 178.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.103 0 CA-C-O 117.245 -1.36 . . . . 0.0 108.974 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.323 0 C-N-CA 122.869 2.38 . . . . 0.0 111.762 178.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 332' ' ' ASN . . . . . . . . . . . . . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.014 0 O-C-N 118.645 -2.534 . . . . 0.0 115.706 -177.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.032 0 C-N-CA 126.645 1.978 . . . . 0.0 110.915 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.925 0 C-N-CA 123.353 2.702 . . . . 0.0 115.496 -178.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 121.325 1.875 . . . . 0.0 113.443 177.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 124.966 1.307 . . . . 0.0 108.03 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.246 0.883 0 C-N-CA 119.018 -1.073 . . . . 0.0 109.739 179.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.601 -0.687 . . . . 0.0 109.341 179.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 114.235 -1.348 . . . . 0.0 109.749 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-N 119.551 1.069 . . . . 0.0 111.929 -177.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-O 117.113 -1.422 . . . . 0.0 111.857 -178.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 115.027 1.491 . . . . 0.0 115.027 -178.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.492 0 CA-C-N 114.59 -1.186 . . . . 0.0 109.182 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-O 124.907 2.289 . . . . 0.0 109.423 178.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.497 -1.062 0 CA-C-N 112.67 -2.059 . . . . 0.0 111.324 178.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-N 121.16 1.8 . . . . 0.0 112.763 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.325 0 CA-C-O 118.446 -0.787 . . . . 0.0 112.291 -176.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 O-C-N 124.102 0.876 . . . . 0.0 109.092 -179.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-O 115.215 -2.326 . . . . 0.0 110.86 -178.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.209 0 O-C-N 127.598 3.061 . . . . 0.0 111.022 179.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.768 0 C-N-CA 127.376 2.27 . . . . 0.0 113.788 -177.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 125.999 2.062 . . . . 0.0 112.163 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.253 1.338 0 CA-C-N 121.363 1.892 . . . . 0.0 114.789 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.573 0 C-N-CA 124.794 1.238 . . . . 0.0 111.389 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 107.125 -1.435 . . . . 0.0 107.125 178.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.237 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 178.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 O-C-N 124.855 1.347 . . . . 0.0 110.043 -178.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.36 0 CA-C-N 113.641 -1.618 . . . . 0.0 111.046 178.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.3 -1.558 0 C-N-CA 127.139 2.176 . . . . 0.0 112.5 -178.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 113.714 -1.585 . . . . 0.0 111.943 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.674 0 CA-C-O 116.756 -1.592 . . . . 0.0 111.684 -178.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 126.519 2.387 . . . . 0.0 107.527 178.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.049 0 C-N-CA 126.412 1.885 . . . . 0.0 113.202 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.637 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.192 0 O-C-N 124.449 1.093 . . . . 0.0 108.227 178.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-O 116.553 -1.689 . . . . 0.0 112.098 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.535 0 N-CA-C 115.869 1.803 . . . . 0.0 115.869 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 O-C-N 124.47 1.106 . . . . 0.0 111.092 -177.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.149 0 O-C-N 125.413 1.696 . . . . 0.0 111.38 -178.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.045 0 C-N-CA 127.305 2.242 . . . . 0.0 107.42 179.132 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 500' ' ' MXT . . . . . 0.864 ' O11' H232 ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 600' ' ' MXT . . . . . 0.511 H232 ' O11' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.416 ' C ' H263 ' A' ' 500' ' ' MXT . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.825 ' C ' H122 ' A' ' 500' ' ' MXT . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 1.206 ' N ' H121 ' A' ' 500' ' ' MXT . 18.7 m -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 1.129 ' N ' H122 ' A' ' 500' ' ' MXT . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.304 0 O-C-N 125.664 1.852 . . . . 0.0 106.857 167.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.748 1 O-C-N 129.159 4.241 . . . . 0.0 107.956 -174.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.941 0 CA-C-N 121.03 1.741 . . . . 0.0 112.654 -177.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.212 0 CA-C-N 114.255 -1.338 . . . . 0.0 110.903 -177.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.18 0 C-N-CA 126.949 2.099 . . . . 0.0 110.206 -177.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.458 0 O-C-N 120.899 -1.126 . . . . 0.0 109.831 178.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.573 0 N-CA-C 105.923 -1.88 . . . . 0.0 105.923 -177.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 127.156 2.785 . . . . 0.0 107.842 178.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.572 1.801 0 CA-C-O 115.376 -2.249 . . . . 0.0 106.472 179.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 C--N 1.277 -2.563 1 O-C-N 130.756 5.035 . . . . 0.0 106.327 176.142 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.124 0 CA-C-O 113.77 -3.014 . . . . 0.0 105.851 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.452 0 CA-C-N 121.153 1.797 . . . . 0.0 110.023 -177.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 125.901 2.0 . . . . 0.0 105.783 -176.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.356 0 O-C-N 127.482 2.989 . . . . 0.0 112.782 -176.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.267 2.016 0 O-C-N 127.213 2.82 . . . . 0.0 112.241 177.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 122.186 2.266 . . . . 0.0 111.933 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--O 1.224 -0.252 0 O-C-N 126.625 2.453 . . . . 0.0 109.71 -174.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.732 0 C-N-CA 124.643 3.562 . . . . 0.0 111.984 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.828 0 CA-C-N 111.709 -2.496 . . . . 0.0 106.753 179.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.313 -1.291 0 O-C-N 127.525 3.382 . . . . 0.0 107.913 178.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.524 0 C-N-CA 121.839 1.692 . . . . 0.0 108.281 178.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.579 0 O-C-N 127.075 2.734 . . . . 0.0 112.141 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.291 -1.967 0 C-N-CA 126.782 2.033 . . . . 0.0 114.9 -174.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.693 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 175.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.289 0 O-C-N 124.878 1.362 . . . . 0.0 113.676 -175.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.446 0 CA-C-O 117.412 -1.28 . . . . 0.0 112.763 -179.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.253 1.271 0 CA-C-N 121.766 2.076 . . . . 0.0 114.948 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.161 1.907 . . . . 0.0 113.34 178.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.907 0 C-N-CA 129.763 3.225 . . . . 0.0 112.288 178.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.056 0 O-C-N 119.418 -2.051 . . . . 0.0 109.518 177.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.559 1.317 0 CA-C-O 115.645 -2.122 . . . . 0.0 109.272 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 127.341 2.901 . . . . 0.0 109.343 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.253 1.253 0 O-C-N 120.332 -1.48 . . . . 0.0 112.893 177.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-O 122.025 0.917 . . . . 0.0 113.315 179.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.252 0 C-N-CA 126.508 1.923 . . . . 0.0 109.251 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 125.067 1.479 . . . . 0.0 110.254 175.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.172 0 C-N-CA 127.069 2.148 . . . . 0.0 114.602 178.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.002 0 CA-C-O 117.087 -1.952 . . . . 0.0 112.369 178.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 118.149 0.975 . . . . 0.0 108.498 179.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 176.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.958 0 C-N-CA 123.926 0.89 . . . . 0.0 112.824 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.485 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 -175.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.093 0 C-N-CA 125.058 1.343 . . . . 0.0 108.114 175.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 177.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.933 0 CA-C-N 114.33 -1.305 . . . . 0.0 110.103 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-O 116.052 -1.928 . . . . 0.0 112.362 178.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.278 -2.542 0 C-N-CA 126.87 2.068 . . . . 0.0 116.554 -174.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.581 0 CA-C-O 122.717 1.246 . . . . 0.0 112.279 -178.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 122.4 2.066 . . . . 0.0 115.116 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 177.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.414 0 N-CA-C 115.193 1.553 . . . . 0.0 115.193 178.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.497 -1.095 0 O-C-N 118.297 -2.752 . . . . 0.0 114.643 -179.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.327 0 N-CA-C 115.943 1.831 . . . . 0.0 115.943 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.06 0 CA-C-N 120.261 1.129 . . . . 0.0 114.889 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.294 1.038 . . . . 0.0 112.01 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 O-C-N 125.129 1.518 . . . . 0.0 111.484 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.319 0 N-CA-C 116.904 2.187 . . . . 0.0 116.904 179.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 127.659 2.384 . . . . 0.0 115.578 -178.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.246 0.897 0 N-CA-C 117.133 2.271 . . . . 0.0 117.133 -178.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.066 0 CA-C-O 115.663 -2.743 . . . . 0.0 118.839 177.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.29 -1.974 1 CA-C-N 124.217 4.008 . . . . 0.0 111.358 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.483 1.201 0 CA-C-O 115.675 -2.107 . . . . 0.0 106.245 177.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.302 -1.484 0 O-C-N 125.492 1.745 . . . . 0.0 107.618 -178.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.256 1.442 0 O-C-N 125.805 1.941 . . . . 0.0 111.476 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-O 122.104 0.954 . . . . 0.0 110.697 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.056 0 N-CA-C 106.744 -1.576 . . . . 0.0 106.744 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 1.987 0 O-C-N 126.014 2.072 . . . . 0.0 116.231 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.791 0 CA-C-O 117.895 -1.05 . . . . 0.0 112.58 -178.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 2.015 0 N-CA-C 107.797 -2.121 . . . . 0.0 107.797 -178.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 125.34 2.495 . . . . 0.0 112.658 -177.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.846 0 CA-C-N 110.915 -2.857 . . . . 0.0 110.429 179.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -1.0 0 O-C-N 126.409 2.318 . . . . 0.0 105.357 176.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.407 0 N-CA-C 117.811 2.522 . . . . 0.0 117.811 -176.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 178.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 103.82 -2.659 . . . . 0.0 103.82 177.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 CA-C-N 112.028 -2.351 . . . . 0.0 108.022 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.254 1.355 0 N-CA-C 118.516 2.166 . . . . 0.0 118.516 -178.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.678 0 O-C-N 121.483 -1.01 . . . . 0.0 112.226 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.623 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -177.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-O 124.259 1.98 . . . . 0.0 110.038 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.245 0.851 0 CA-C-N 113.443 -1.708 . . . . 0.0 108.381 -178.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 C--O 1.239 0.446 0 CA-C-N 114.048 -1.433 . . . . 0.0 110.177 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 124.798 0.94 . . . . 0.0 110.042 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.247 0.96 0 CA-C-N 114.359 -1.291 . . . . 0.0 109.36 179.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.221 0 O-C-N 124.587 1.179 . . . . 0.0 110.201 178.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.833 0 N-CA-C 119.069 2.388 . . . . 0.0 119.069 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.214 -0.815 0 O-C-N 120.876 -1.367 . . . . 0.0 109.098 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.308 0 N-CA-C 107.063 -1.458 . . . . 0.0 107.063 178.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.904 0 O-C-N 125.665 1.853 . . . . 0.0 110.279 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.332 0.587 . . . . 0.0 111.878 -179.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 115.733 -2.08 . . . . 0.0 108.834 -177.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.293 -1.888 0 O-C-N 127.274 2.859 . . . . 0.0 110.396 178.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 117.688 -1.149 . . . . 0.0 109.585 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 O-C-N 128.11 3.381 . . . . 0.0 112.835 -177.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.287 0 O-C-N 125.171 1.544 . . . . 0.0 111.669 -178.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 123.89 0.876 . . . . 0.0 110.207 178.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.961 0 N-CA-C 118.046 2.61 . . . . 0.0 118.046 175.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.311 -1.071 0 C-N-CA 124.029 0.932 . . . . 0.0 109.123 177.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 127.366 2.916 . . . . 0.0 111.393 -177.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.385 0 C-N-CA 130.005 3.322 . . . . 0.0 109.009 178.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.246 0.917 0 O-C-N 126.802 2.564 . . . . 0.0 113.744 -178.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 115.246 1.573 . . . . 0.0 115.246 -178.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 124.791 1.307 . . . . 0.0 109.962 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 124.019 0.927 . . . . 0.0 109.21 179.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.887 0 C-N-CA 123.503 0.721 . . . . 0.0 112.701 -178.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-O 116.997 -1.478 . . . . 0.0 110.98 -177.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.62 0 CA-C-O 116.812 -1.566 . . . . 0.0 110.671 -176.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.175 0 CA-C-N 119.555 1.071 . . . . 0.0 112.844 -178.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 124.909 1.284 . . . . 0.0 111.721 -178.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 124.997 1.436 . . . . 0.0 108.239 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 126.576 2.422 . . . . 0.0 111.627 -178.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.014 0 C-N-CA 120.151 -0.62 . . . . 0.0 110.525 177.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 -177.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.524 0 C-N-CA 125.691 1.597 . . . . 0.0 111.232 177.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 C--O 1.243 0.678 0 O-C-N 121.315 -0.865 . . . . 0.0 114.275 -179.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.615 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 119.803 -1.81 . . . . 0.0 109.669 -179.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 116.351 1.982 . . . . 0.0 116.351 -176.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 125.254 1.596 . . . . 0.0 110.29 -176.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 112.518 -2.128 . . . . 0.0 108.343 176.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 N-CA-C 104.503 -2.406 . . . . 0.0 104.503 178.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 125.39 1.681 . . . . 0.0 108.227 -177.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.304 -1.233 0 O-C-N 125.844 1.965 . . . . 0.0 110.97 -175.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.47 0 O-C-N 126.315 2.745 . . . . 0.0 115.063 -176.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.55 0 O-C-N 120.378 -1.451 . . . . 0.0 113.81 177.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.37 0 N-CA-C 115.607 1.706 . . . . 0.0 115.607 -176.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--N 1.294 -1.815 0 CA-C-O 115.068 -2.396 . . . . 0.0 112.844 -178.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.649 0 CA-C-N 120.9 1.682 . . . . 0.0 114.885 -178.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.052 0 C-N-CA 127.012 2.125 . . . . 0.0 111.231 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 O-C-N 126.255 2.222 . . . . 0.0 110.475 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 125.383 1.473 . . . . 0.0 107.06 177.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.752 0 C-N-CA 126.54 1.936 . . . . 0.0 112.596 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.252 1.201 0 CA-C-N 113.23 -1.804 . . . . 0.0 111.429 -177.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.309 -1.189 0 C-N-CA 123.855 0.862 . . . . 0.0 113.139 -179.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 104.19 -2.522 . . . . 0.0 104.19 177.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 104.846 -2.279 . . . . 0.0 104.846 178.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 128.56 3.662 . . . . 0.0 117.003 -175.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.584 4.366 0 N-CA-C 105.343 -3.103 . . . . 0.0 105.343 177.04 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.273 2.341 0 O-C-N 128.525 3.133 . . . . 0.0 106.513 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.836 0 C-N-CA 118.924 -1.111 . . . . 0.0 112.727 -177.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 177.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.817 0 CA-C-O 122.46 1.124 . . . . 0.0 108.079 176.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.447 -1.264 0 C-N-CA 121.441 1.428 . . . . 0.0 111.893 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 177.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 105.35 -2.093 . . . . 0.0 105.35 177.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 122.809 1.29 . . . . 0.0 110.089 -176.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.25 1.152 0 CA-C-N 112.673 -2.058 . . . . 0.0 112.799 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.228 0 CA-C-N 118.139 0.97 . . . . 0.0 110.763 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.918 0 O-C-N 123.52 1.274 . . . . 0.0 111.608 177.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.553 1.071 0 N-CA-C 103.127 -2.916 . . . . 0.0 103.127 178.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.336 0 O-C-N 126.909 2.63 . . . . 0.0 112.234 -178.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.714 0 N-CA-C 107.542 -1.753 . . . . 0.0 107.542 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.968 0 O-C-N 128.096 3.373 . . . . 0.0 102.983 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.994 0 CA-C-O 116.007 -1.949 . . . . 0.0 108.843 178.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.803 0 N-CA-C 104.107 -3.597 . . . . 0.0 104.107 179.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.523 0 CA-C-O 115.695 -2.097 . . . . 0.0 109.475 -177.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.716 0 N-CA-C 103.71 -2.7 . . . . 0.0 103.71 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.074 0 O-C-N 127.753 3.158 . . . . 0.0 113.506 -178.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 106.337 -1.727 . . . . 0.0 106.337 -177.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.501 2.974 0 O-C-N 126.342 2.276 . . . . 0.0 107.605 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 118.941 -2.505 . . . . 0.0 110.271 -177.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.311 0 N-CA-C 100.652 -3.832 . . . . 0.0 100.652 -175.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.445 -1.339 0 CA-C-O 115.277 -2.051 . . . . 0.0 112.091 178.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.272 -2.804 0 CA-C-N 120.7 1.591 . . . . 0.0 109.588 177.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.41 0 CA-C-N 112.87 -1.968 . . . . 0.0 110.614 178.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.29 0 O-C-N 120.94 -1.1 . . . . 0.0 110.432 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.166 0 O-C-N 125.761 1.913 . . . . 0.0 110.272 -178.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.101 0 O-C-N 127.068 2.73 . . . . 0.0 107.03 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.598 0 CA-C-O 122.207 1.003 . . . . 0.0 112.935 177.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.89 0 O-C-N 117.467 -3.27 . . . . 0.0 114.568 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.793 0 O-C-N 125.56 1.787 . . . . 0.0 108.146 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.577 1 O-C-N 129.228 4.08 . . . . 0.0 109.786 179.176 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 120.061 -1.649 . . . . 0.0 111.871 179.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.51 0 C-N-CA 125.103 1.361 . . . . 0.0 112.766 178.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.036 0 C-N-CA 128.019 2.723 . . . . 0.0 114.309 -179.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.276 0 C-N-CA 128.259 2.623 . . . . 0.0 111.52 -178.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 C-N-CA 117.561 -1.656 . . . . 0.0 107.401 179.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.104 0 CA-C-O 117.312 -1.327 . . . . 0.0 108.987 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.314 -1.287 0 C-N-CA 122.891 2.394 . . . . 0.0 111.74 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 332' ' ' ASN . . . . . . . . . . . . . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.021 0 O-C-N 118.682 -2.511 . . . . 0.0 115.713 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.041 0 C-N-CA 126.61 1.964 . . . . 0.0 110.908 177.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.949 0 C-N-CA 123.419 2.746 . . . . 0.0 115.523 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-N 121.272 1.851 . . . . 0.0 113.477 177.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 124.948 1.299 . . . . 0.0 108.037 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.246 0.889 0 C-N-CA 119.078 -1.049 . . . . 0.0 109.763 179.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.557 -0.714 . . . . 0.0 109.319 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 C--O 1.244 0.765 0 CA-C-N 114.246 -1.343 . . . . 0.0 109.745 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-N 119.595 1.089 . . . . 0.0 111.937 -178.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-O 117.071 -1.442 . . . . 0.0 111.845 -178.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 115.062 1.504 . . . . 0.0 115.062 -178.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.478 0 CA-C-N 114.594 -1.185 . . . . 0.0 109.156 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-O 124.927 2.298 . . . . 0.0 109.48 178.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.499 -1.008 0 CA-C-N 112.689 -2.05 . . . . 0.0 111.268 178.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.745 0 CA-C-N 121.131 1.787 . . . . 0.0 112.741 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.302 0 CA-C-O 118.442 -0.79 . . . . 0.0 112.301 -176.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 O-C-N 124.044 0.84 . . . . 0.0 109.133 -179.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-O 115.194 -2.336 . . . . 0.0 110.871 -178.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.202 0 O-C-N 127.575 3.047 . . . . 0.0 111.046 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.778 0 C-N-CA 127.397 2.279 . . . . 0.0 113.742 -177.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 126.022 2.076 . . . . 0.0 112.212 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.255 1.435 0 CA-C-N 121.286 1.857 . . . . 0.0 114.781 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.591 0 C-N-CA 124.801 1.241 . . . . 0.0 111.432 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 107.146 -1.428 . . . . 0.0 107.146 178.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.226 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 178.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.94 0 O-C-N 124.831 1.332 . . . . 0.0 110.028 -178.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-N 113.672 -1.604 . . . . 0.0 111.045 178.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 127.166 2.186 . . . . 0.0 112.517 -178.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 113.732 -1.576 . . . . 0.0 111.972 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-O 116.776 -1.583 . . . . 0.0 111.696 -178.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 126.52 2.388 . . . . 0.0 107.516 178.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 C--N 1.312 -1.042 0 C-N-CA 126.411 1.884 . . . . 0.0 113.153 179.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.114 -0.948 . . . . 0.0 109.628 -179.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.166 0 O-C-N 124.46 1.1 . . . . 0.0 108.228 178.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 116.55 -1.69 . . . . 0.0 112.106 179.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.506 0 N-CA-C 115.914 1.82 . . . . 0.0 115.914 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 O-C-N 124.494 1.121 . . . . 0.0 111.111 -177.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.119 0 O-C-N 125.477 1.735 . . . . 0.0 111.376 -178.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.069 0 C-N-CA 127.235 2.214 . . . . 0.0 107.438 179.135 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 500' ' ' MXT . . . . . 1.206 H121 ' N ' ' A' ' 41' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 600' ' ' MXT . . . . . 0.613 ' O12' H232 ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.725 ' O ' H231 ' A' ' 500' ' ' MXT . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 1.211 ' CA ' H121 ' A' ' 500' ' ' MXT . 25.8 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.995 ' H ' H122 ' A' ' 500' ' ' MXT . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.323 0 O-C-N 125.664 1.852 . . . . 0.0 106.827 169.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.745 1 O-C-N 129.188 4.257 . . . . 0.0 107.939 -175.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.919 0 CA-C-N 121.02 1.737 . . . . 0.0 112.632 -178.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.188 0 CA-C-N 114.25 -1.341 . . . . 0.0 110.93 -178.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 C-N-CA 126.99 2.116 . . . . 0.0 110.227 -177.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.256 1.44 0 O-C-N 120.889 -1.132 . . . . 0.0 109.826 179.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.597 0 N-CA-C 105.94 -1.874 . . . . 0.0 105.94 -177.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 127.177 2.798 . . . . 0.0 107.869 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.57 1.748 0 CA-C-O 115.505 -2.188 . . . . 0.0 106.424 178.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.538 1 O-C-N 130.639 4.962 . . . . 0.0 106.346 177.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.146 0 CA-C-O 113.745 -3.026 . . . . 0.0 105.869 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-N 121.144 1.793 . . . . 0.0 110.042 -177.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.785 0 O-C-N 125.877 1.985 . . . . 0.0 105.787 -176.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.254 1.33 0 O-C-N 127.512 3.008 . . . . 0.0 112.736 -176.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.955 0 O-C-N 127.23 2.831 . . . . 0.0 112.206 177.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 122.163 2.256 . . . . 0.0 111.924 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--O 1.225 -0.204 0 O-C-N 126.651 2.47 . . . . 0.0 109.711 -174.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.736 0 C-N-CA 124.635 3.556 . . . . 0.0 111.928 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.477 0.876 0 CA-C-N 111.729 -2.487 . . . . 0.0 106.725 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.315 -1.236 0 O-C-N 127.466 3.35 . . . . 0.0 107.873 178.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.519 0 CA-C-O 116.16 -1.683 . . . . 0.0 108.31 178.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.596 0 O-C-N 127.078 2.736 . . . . 0.0 112.143 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.983 0 C-N-CA 126.717 2.007 . . . . 0.0 114.904 -174.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.57 1.739 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 175.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 124.965 1.416 . . . . 0.0 113.634 -175.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.429 0 CA-C-O 117.427 -1.273 . . . . 0.0 112.759 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.255 1.347 0 CA-C-N 121.776 2.08 . . . . 0.0 114.924 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.309 -1.507 0 C-N-CA 122.21 1.94 . . . . 0.0 113.298 178.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.293 -1.877 0 C-N-CA 129.788 3.235 . . . . 0.0 112.262 178.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.051 0 O-C-N 119.445 -2.035 . . . . 0.0 109.493 177.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.334 0 CA-C-O 115.592 -2.147 . . . . 0.0 109.244 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 127.396 2.935 . . . . 0.0 109.424 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.253 1.261 0 O-C-N 120.263 -1.523 . . . . 0.0 112.895 177.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 122.033 0.921 . . . . 0.0 113.322 179.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.268 0 C-N-CA 126.531 1.932 . . . . 0.0 109.27 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 125.088 1.492 . . . . 0.0 110.274 175.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.271 2.187 0 C-N-CA 127.066 2.146 . . . . 0.0 114.59 178.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.031 0 CA-C-O 117.068 -1.962 . . . . 0.0 112.339 178.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-N 118.177 0.988 . . . . 0.0 108.482 179.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 107.243 -1.392 . . . . 0.0 107.243 176.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.924 0 C-N-CA 123.917 0.887 . . . . 0.0 112.828 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.481 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 -175.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.073 0 C-N-CA 125.06 1.344 . . . . 0.0 108.08 175.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 177.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.967 0 CA-C-N 114.273 -1.331 . . . . 0.0 110.113 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-O 115.997 -1.954 . . . . 0.0 112.326 178.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.561 0 N-CA-C 116.609 2.077 . . . . 0.0 116.609 -174.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.599 0 CA-C-O 122.7 1.238 . . . . 0.0 112.304 -178.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 122.355 2.037 . . . . 0.0 115.148 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 177.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.431 0 N-CA-C 115.189 1.552 . . . . 0.0 115.189 178.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.104 0 O-C-N 118.342 -2.724 . . . . 0.0 114.618 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.299 0 N-CA-C 115.941 1.83 . . . . 0.0 115.941 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.043 0 CA-C-N 120.338 1.156 . . . . 0.0 114.818 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.28 1.032 . . . . 0.0 112.038 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 O-C-N 125.095 1.497 . . . . 0.0 111.506 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.334 0 N-CA-C 116.918 2.192 . . . . 0.0 116.918 179.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 127.668 2.387 . . . . 0.0 115.583 -178.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.863 0 N-CA-C 117.102 2.26 . . . . 0.0 117.102 -178.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.482 -2.006 0 CA-C-O 115.638 -2.757 . . . . 0.0 118.846 177.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.29 -1.994 0 CA-C-N 124.192 3.996 . . . . 0.0 111.374 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-O 115.631 -2.128 . . . . 0.0 106.274 177.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.522 0 O-C-N 125.529 1.768 . . . . 0.0 107.648 -178.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.494 0 O-C-N 125.764 1.915 . . . . 0.0 111.521 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-O 122.106 0.955 . . . . 0.0 110.694 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.051 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.266 1.974 0 O-C-N 126.034 2.084 . . . . 0.0 116.175 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.783 0 CA-C-O 117.927 -1.035 . . . . 0.0 112.576 -178.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 1.983 0 N-CA-C 107.791 -2.124 . . . . 0.0 107.791 -178.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 125.39 2.519 . . . . 0.0 112.667 -177.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.831 0 CA-C-N 110.858 -2.883 . . . . 0.0 110.444 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -1.002 0 O-C-N 126.385 2.303 . . . . 0.0 105.442 176.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.383 0 N-CA-C 117.799 2.518 . . . . 0.0 117.799 -176.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 178.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 103.832 -2.655 . . . . 0.0 103.832 177.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 CA-C-N 111.986 -2.37 . . . . 0.0 108.02 -179.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.283 0 N-CA-C 118.598 2.199 . . . . 0.0 118.598 -178.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.706 0 O-C-N 121.462 -1.022 . . . . 0.0 112.245 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.647 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -177.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.831 0 CA-C-O 124.265 1.983 . . . . 0.0 110.022 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.912 0 CA-C-N 113.412 -1.722 . . . . 0.0 108.382 -178.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.463 0.457 0 CA-C-N 114.043 -1.435 . . . . 0.0 110.208 179.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 124.859 0.976 . . . . 0.0 110.044 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.987 0 CA-C-N 114.33 -1.305 . . . . 0.0 109.372 179.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.194 0 O-C-N 124.572 1.17 . . . . 0.0 110.215 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 CA--C 1.501 -0.828 0 N-CA-C 119.059 2.383 . . . . 0.0 119.059 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.214 -0.813 0 O-C-N 120.835 -1.391 . . . . 0.0 109.083 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 178.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.266 1.923 0 O-C-N 125.674 1.859 . . . . 0.0 110.239 179.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.312 0.577 . . . . 0.0 111.897 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 115.791 -2.052 . . . . 0.0 108.833 -177.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.293 -1.871 0 O-C-N 127.205 2.816 . . . . 0.0 110.374 178.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 117.658 -1.163 . . . . 0.0 109.55 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 O-C-N 128.154 3.409 . . . . 0.0 112.824 -177.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.267 0 O-C-N 125.086 1.491 . . . . 0.0 111.719 -178.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 123.92 0.888 . . . . 0.0 110.184 178.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.944 0 N-CA-C 118.037 2.606 . . . . 0.0 118.037 175.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.028 0 C-N-CA 124.062 0.945 . . . . 0.0 109.089 177.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 127.361 2.913 . . . . 0.0 111.387 -177.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.396 0 C-N-CA 129.995 3.318 . . . . 0.0 108.969 178.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.246 0.902 0 O-C-N 126.752 2.533 . . . . 0.0 113.787 -178.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 115.309 1.596 . . . . 0.0 115.309 -178.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 124.681 1.238 . . . . 0.0 109.974 178.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.391 0 C-N-CA 124.015 0.926 . . . . 0.0 109.199 179.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.315 -0.895 0 C-N-CA 123.475 0.71 . . . . 0.0 112.69 -178.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-O 116.985 -1.483 . . . . 0.0 110.995 -177.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 CA-C-O 116.751 -1.595 . . . . 0.0 110.676 -176.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.148 0 CA-C-N 119.56 1.073 . . . . 0.0 112.84 -178.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 124.943 1.297 . . . . 0.0 111.674 -178.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 124.984 1.427 . . . . 0.0 108.321 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 126.555 2.409 . . . . 0.0 111.639 -178.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.021 0 C-N-CA 120.154 -0.619 . . . . 0.0 110.553 177.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -177.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.504 0 C-N-CA 125.654 1.581 . . . . 0.0 111.305 177.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 C--O 1.242 0.652 0 O-C-N 121.274 -0.891 . . . . 0.0 114.291 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.608 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 119.815 -1.803 . . . . 0.0 109.629 -179.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 116.335 1.976 . . . . 0.0 116.335 -176.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 125.266 1.604 . . . . 0.0 110.326 -176.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 112.543 -2.117 . . . . 0.0 108.306 176.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 N-CA-C 104.503 -2.406 . . . . 0.0 104.503 178.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 125.409 1.693 . . . . 0.0 108.273 -177.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.276 0 O-C-N 125.892 1.995 . . . . 0.0 110.961 -175.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.448 0 O-C-N 126.319 2.747 . . . . 0.0 115.079 -176.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.543 0 O-C-N 120.385 -1.447 . . . . 0.0 113.815 177.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.256 1.407 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 -176.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--N 1.295 -1.794 0 CA-C-O 115.124 -2.37 . . . . 0.0 112.77 -178.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.636 0 CA-C-N 120.911 1.687 . . . . 0.0 114.861 -178.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.311 -1.083 0 C-N-CA 127.041 2.137 . . . . 0.0 111.174 -179.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 O-C-N 126.235 2.21 . . . . 0.0 110.465 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 125.345 1.458 . . . . 0.0 107.081 177.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.74 0 C-N-CA 126.536 1.934 . . . . 0.0 112.6 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.161 0 CA-C-N 113.248 -1.797 . . . . 0.0 111.449 -177.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.309 -1.161 0 C-N-CA 123.826 0.851 . . . . 0.0 113.127 -179.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 104.165 -2.532 . . . . 0.0 104.165 177.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 104.819 -2.289 . . . . 0.0 104.819 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 128.468 3.605 . . . . 0.0 116.968 -175.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.584 4.347 0 N-CA-C 105.27 -3.132 . . . . 0.0 105.27 177.106 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.273 2.306 0 O-C-N 128.482 3.107 . . . . 0.0 106.536 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.82 0 C-N-CA 118.914 -1.114 . . . . 0.0 112.697 -177.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.756 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 177.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.244 0.787 0 CA-C-O 122.531 1.158 . . . . 0.0 108.04 176.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.312 0 C-N-CA 121.459 1.439 . . . . 0.0 111.875 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 177.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 105.374 -2.084 . . . . 0.0 105.374 177.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 122.806 1.289 . . . . 0.0 110.158 -176.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.159 0 CA-C-N 112.65 -2.068 . . . . 0.0 112.775 178.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.223 0 CA-C-N 118.16 0.98 . . . . 0.0 110.761 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.451 -0.979 0 O-C-N 123.463 1.244 . . . . 0.0 111.699 177.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 103.16 -2.904 . . . . 0.0 103.16 178.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.348 0 O-C-N 126.869 2.606 . . . . 0.0 112.228 -178.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.705 0 N-CA-C 107.593 -1.734 . . . . 0.0 107.593 -179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.939 0 O-C-N 128.085 3.366 . . . . 0.0 103.024 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.266 1.963 0 CA-C-O 115.997 -1.954 . . . . 0.0 108.822 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.544 1.852 0 N-CA-C 104.121 -3.592 . . . . 0.0 104.121 -179.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.526 0 CA-C-O 115.671 -2.109 . . . . 0.0 109.465 -177.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.732 0 N-CA-C 103.658 -2.719 . . . . 0.0 103.658 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.498 -1.055 0 O-C-N 127.744 3.153 . . . . 0.0 113.551 -178.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 -178.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.501 2.973 0 O-C-N 126.279 2.237 . . . . 0.0 107.647 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.23 -2.335 . . . . 0.0 110.271 -177.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.311 0 N-CA-C 100.629 -3.841 . . . . 0.0 100.629 -176.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.323 0 CA-C-O 115.268 -2.055 . . . . 0.0 112.125 178.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.272 -2.78 0 CA-C-N 120.692 1.587 . . . . 0.0 109.6 177.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.274 2.387 0 CA-C-N 112.859 -1.973 . . . . 0.0 110.634 178.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.432 -1.34 0 O-C-N 120.928 -1.107 . . . . 0.0 110.429 178.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.163 0 O-C-N 125.833 1.958 . . . . 0.0 110.234 -178.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.287 -2.115 0 O-C-N 127.023 2.702 . . . . 0.0 107.028 178.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.629 0 CA-C-O 122.279 1.038 . . . . 0.0 112.937 177.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.901 0 O-C-N 117.414 -3.304 . . . . 0.0 114.576 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.571 1.777 0 O-C-N 125.651 1.844 . . . . 0.0 108.187 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.299 -1.59 1 O-C-N 129.216 4.072 . . . . 0.0 109.752 179.166 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 120.027 -1.671 . . . . 0.0 111.797 179.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.3 -1.551 0 C-N-CA 125.11 1.364 . . . . 0.0 112.758 178.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.046 0 C-N-CA 127.976 2.703 . . . . 0.0 114.306 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.258 0 C-N-CA 128.259 2.624 . . . . 0.0 111.454 -178.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 C-N-CA 117.605 -1.638 . . . . 0.0 107.365 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.094 0 CA-C-O 117.288 -1.339 . . . . 0.0 109.029 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.326 0 C-N-CA 122.897 2.398 . . . . 0.0 111.768 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 332' ' ' ASN . . . . . . . . . . . . . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.249 1.037 0 O-C-N 118.639 -2.538 . . . . 0.0 115.723 -177.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.058 0 C-N-CA 126.658 1.983 . . . . 0.0 110.88 -178.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.938 0 C-N-CA 123.45 2.767 . . . . 0.0 115.514 175.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-N 121.262 1.846 . . . . 0.0 113.466 178.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 124.973 1.309 . . . . 0.0 107.994 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.838 0 C-N-CA 119.106 -1.038 . . . . 0.0 109.702 179.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.559 -0.713 . . . . 0.0 109.313 179.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 114.245 -1.343 . . . . 0.0 109.71 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 119.607 1.094 . . . . 0.0 111.943 -177.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-O 117.056 -1.449 . . . . 0.0 111.913 -178.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 115.072 1.508 . . . . 0.0 115.072 -178.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.467 0 CA-C-N 114.543 -1.208 . . . . 0.0 109.165 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-O 124.863 2.268 . . . . 0.0 109.461 178.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.499 -1.015 0 CA-C-N 112.676 -2.057 . . . . 0.0 111.316 178.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.733 0 CA-C-N 121.089 1.768 . . . . 0.0 112.749 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.294 0 CA-C-O 118.507 -0.758 . . . . 0.0 112.33 -176.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 O-C-N 124.029 0.831 . . . . 0.0 109.097 -179.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-O 115.243 -2.313 . . . . 0.0 110.916 -178.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.204 0 O-C-N 127.565 3.041 . . . . 0.0 111.038 178.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.767 0 C-N-CA 127.38 2.272 . . . . 0.0 113.758 -177.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 125.96 2.038 . . . . 0.0 112.173 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.351 0 CA-C-N 121.337 1.88 . . . . 0.0 114.851 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.26 1.611 0 C-N-CA 124.769 1.228 . . . . 0.0 111.413 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 107.189 -1.412 . . . . 0.0 107.189 178.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 178.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 O-C-N 124.832 1.333 . . . . 0.0 110.044 -178.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 113.623 -1.626 . . . . 0.0 111.003 178.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 127.159 2.184 . . . . 0.0 112.507 -178.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 113.676 -1.602 . . . . 0.0 111.978 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-O 116.724 -1.607 . . . . 0.0 111.642 -178.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 126.528 2.392 . . . . 0.0 107.597 178.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.057 0 C-N-CA 126.351 1.861 . . . . 0.0 113.174 179.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.665 -179.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.161 0 O-C-N 124.458 1.099 . . . . 0.0 108.213 178.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 116.567 -1.682 . . . . 0.0 112.072 179.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.516 0 N-CA-C 115.922 1.823 . . . . 0.0 115.922 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 O-C-N 124.489 1.118 . . . . 0.0 111.137 -177.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.134 0 O-C-N 125.475 1.734 . . . . 0.0 111.356 -178.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.069 0 C-N-CA 127.235 2.214 . . . . 0.0 107.45 179.092 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 500' ' ' MXT . . . . . 1.211 H121 ' CA ' ' A' ' 41' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 600' ' ' MXT . . . . . 0.808 H232 ' O11' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.8 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.8 ' H ' H122 ' A' ' 500' ' ' MXT . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.506 2.327 0 O-C-N 125.664 1.852 . . . . 0.0 106.847 167.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.75 1 O-C-N 129.21 4.268 . . . . 0.0 107.977 -170.481 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.917 0 CA-C-N 121.001 1.728 . . . . 0.0 112.646 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.502 2.172 0 CA-C-N 114.264 -1.335 . . . . 0.0 110.938 178.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.213 0 C-N-CA 126.994 2.118 . . . . 0.0 110.276 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.256 1.429 0 O-C-N 120.871 -1.143 . . . . 0.0 109.86 -174.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.585 0 N-CA-C 105.929 -1.878 . . . . 0.0 105.929 -178.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 127.126 2.766 . . . . 0.0 107.844 -178.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.776 0 CA-C-O 115.485 -2.198 . . . . 0.0 106.403 -178.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.527 1 O-C-N 130.642 4.963 . . . . 0.0 106.303 177.533 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.148 0 CA-C-O 113.741 -3.028 . . . . 0.0 105.891 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 121.167 1.803 . . . . 0.0 110.048 -177.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 125.885 1.991 . . . . 0.0 105.812 -176.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.254 1.334 0 O-C-N 127.477 2.986 . . . . 0.0 112.812 -176.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.94 0 O-C-N 127.221 2.826 . . . . 0.0 112.271 177.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.921 0 O-C-N 119.076 -2.265 . . . . 0.0 111.897 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.332 -0.178 0 O-C-N 126.649 2.468 . . . . 0.0 109.692 -174.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--O 1.242 0.681 0 C-N-CA 124.659 3.573 . . . . 0.0 111.94 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.832 0 CA-C-N 111.743 -2.48 . . . . 0.0 106.758 179.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.249 0 O-C-N 127.53 3.384 . . . . 0.0 107.924 179.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.523 0 O-C-N 124.302 1.686 . . . . 0.0 108.317 178.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.622 0 O-C-N 127.043 2.714 . . . . 0.0 112.192 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -2.017 0 C-N-CA 126.766 2.026 . . . . 0.0 114.913 -174.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.568 1.668 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 175.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 124.907 1.38 . . . . 0.0 113.637 -175.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.257 1.465 0 CA-C-O 117.404 -1.284 . . . . 0.0 112.734 -179.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.253 1.281 0 CA-C-N 121.779 2.081 . . . . 0.0 114.988 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.454 0 C-N-CA 122.148 1.899 . . . . 0.0 113.311 178.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.292 -1.901 0 C-N-CA 129.82 3.248 . . . . 0.0 112.271 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.313 -1.017 0 O-C-N 119.404 -2.06 . . . . 0.0 109.532 177.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.348 0 CA-C-O 115.571 -2.157 . . . . 0.0 109.23 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 127.389 2.931 . . . . 0.0 109.395 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.253 1.275 0 O-C-N 120.273 -1.517 . . . . 0.0 112.846 177.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-O 122.057 0.932 . . . . 0.0 113.345 179.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.252 0 C-N-CA 126.505 1.922 . . . . 0.0 109.252 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 125.11 1.506 . . . . 0.0 110.228 175.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.167 0 C-N-CA 127.125 2.17 . . . . 0.0 114.586 178.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.547 2.059 0 CA-C-O 117.082 -1.955 . . . . 0.0 112.37 178.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-N 118.098 0.949 . . . . 0.0 108.502 179.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 175.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.943 0 C-N-CA 123.977 0.911 . . . . 0.0 112.839 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.258 1.507 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 -175.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.31 -1.114 0 C-N-CA 125.028 1.331 . . . . 0.0 108.07 175.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.869 0 O-C-N 124.517 1.136 . . . . 0.0 107.946 177.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.964 0 CA-C-N 114.303 -1.317 . . . . 0.0 110.156 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-O 115.974 -1.965 . . . . 0.0 112.302 178.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.585 0 N-CA-C 116.588 2.07 . . . . 0.0 116.588 -174.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.592 0 CA-C-O 122.784 1.278 . . . . 0.0 112.256 -178.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.448 -1.206 0 C-N-CA 122.399 2.066 . . . . 0.0 115.091 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 177.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.429 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 178.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.497 -1.088 0 O-C-N 118.333 -2.73 . . . . 0.0 114.662 -179.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.331 0 N-CA-C 115.961 1.838 . . . . 0.0 115.961 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.039 0 CA-C-N 120.299 1.143 . . . . 0.0 114.877 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.315 1.046 . . . . 0.0 112.053 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 O-C-N 125.093 1.495 . . . . 0.0 111.511 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.335 0 N-CA-C 116.913 2.19 . . . . 0.0 116.913 179.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 127.669 2.387 . . . . 0.0 115.555 -178.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.84 0 N-CA-C 117.122 2.267 . . . . 0.0 117.122 -178.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.07 0 CA-C-O 115.663 -2.743 . . . . 0.0 118.831 177.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.29 -1.991 1 CA-C-N 124.204 4.002 . . . . 0.0 111.382 179.711 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-O 115.635 -2.126 . . . . 0.0 106.276 177.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.302 -1.499 0 O-C-N 125.534 1.771 . . . . 0.0 107.635 -178.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.456 0 O-C-N 125.783 1.927 . . . . 0.0 111.475 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-O 122.078 0.942 . . . . 0.0 110.7 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.055 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.266 1.96 0 O-C-N 126.078 2.111 . . . . 0.0 116.215 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.262 1.762 0 CA-C-O 117.945 -1.026 . . . . 0.0 112.596 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 1.998 0 N-CA-C 107.799 -2.121 . . . . 0.0 107.799 -178.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 125.377 2.513 . . . . 0.0 112.634 -177.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-N 110.893 -2.867 . . . . 0.0 110.423 179.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -0.999 0 O-C-N 126.386 2.304 . . . . 0.0 105.458 176.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.39 0 N-CA-C 117.805 2.52 . . . . 0.0 117.805 -176.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.306 -1.319 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 178.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 103.84 -2.652 . . . . 0.0 103.84 177.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 CA-C-N 112.074 -2.33 . . . . 0.0 108.02 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.343 0 N-CA-C 118.562 2.185 . . . . 0.0 118.562 -178.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.679 0 CA-C-N 118.204 1.002 . . . . 0.0 112.224 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.649 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -177.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.495 1.824 0 CA-C-O 124.243 1.973 . . . . 0.0 110.062 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-N 113.423 -1.717 . . . . 0.0 108.365 -178.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.463 0.471 0 CA-C-N 114.032 -1.44 . . . . 0.0 110.179 179.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 124.797 0.939 . . . . 0.0 110.042 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.998 0 CA-C-N 114.368 -1.287 . . . . 0.0 109.312 179.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.191 0 O-C-N 124.508 1.13 . . . . 0.0 110.197 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 CA--C 1.501 -0.814 0 N-CA-C 119.054 2.382 . . . . 0.0 119.054 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.214 -0.793 0 O-C-N 120.87 -1.371 . . . . 0.0 109.057 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.302 0 N-CA-C 107.115 -1.439 . . . . 0.0 107.115 178.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.266 1.923 0 O-C-N 125.672 1.857 . . . . 0.0 110.232 179.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.341 0.591 . . . . 0.0 111.872 -179.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 115.734 -2.079 . . . . 0.0 108.804 -177.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.922 0 O-C-N 127.255 2.847 . . . . 0.0 110.365 178.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 117.704 -1.141 . . . . 0.0 109.562 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 O-C-N 128.119 3.387 . . . . 0.0 112.84 -177.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.278 0 O-C-N 125.093 1.496 . . . . 0.0 111.7 -178.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 123.88 0.872 . . . . 0.0 110.183 178.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 118.023 2.601 . . . . 0.0 118.023 175.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.036 0 C-N-CA 124.105 0.962 . . . . 0.0 109.11 177.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 127.467 2.98 . . . . 0.0 111.352 -177.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 130.032 3.333 . . . . 0.0 108.937 178.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.938 0 O-C-N 126.739 2.524 . . . . 0.0 113.788 -178.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 115.281 1.586 . . . . 0.0 115.281 -178.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 124.758 1.286 . . . . 0.0 109.964 178.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.41 0 C-N-CA 123.984 0.914 . . . . 0.0 109.15 179.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.877 0 C-N-CA 123.48 0.712 . . . . 0.0 112.688 -178.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.221 0 CA-C-O 117.015 -1.469 . . . . 0.0 111.007 -177.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.662 0 CA-C-O 116.791 -1.576 . . . . 0.0 110.669 -176.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.153 0 CA-C-N 119.557 1.071 . . . . 0.0 112.863 -178.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 124.931 1.292 . . . . 0.0 111.681 -178.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 125.058 1.473 . . . . 0.0 108.307 -179.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 126.571 2.419 . . . . 0.0 111.618 -178.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.018 0 C-N-CA 120.171 -0.612 . . . . 0.0 110.495 177.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 114.333 1.234 . . . . 0.0 114.333 -177.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 125.623 1.569 . . . . 0.0 111.228 177.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.466 0.639 0 O-C-N 121.31 -0.869 . . . . 0.0 114.256 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.621 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.663 0 O-C-N 119.814 -1.803 . . . . 0.0 109.695 -179.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 116.338 1.977 . . . . 0.0 116.338 -176.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 125.303 1.627 . . . . 0.0 110.298 -176.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 112.53 -2.123 . . . . 0.0 108.281 176.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 N-CA-C 104.535 -2.394 . . . . 0.0 104.535 178.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 125.416 1.697 . . . . 0.0 108.274 -177.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.302 -1.318 0 O-C-N 125.924 2.015 . . . . 0.0 110.995 -175.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.425 0 O-C-N 126.298 2.736 . . . . 0.0 115.04 -176.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.533 0 O-C-N 120.435 -1.416 . . . . 0.0 113.802 177.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.256 1.399 0 N-CA-C 115.586 1.698 . . . . 0.0 115.586 -176.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.263 1.814 0 CA-C-O 115.146 -2.359 . . . . 0.0 112.829 -178.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.611 0 CA-C-N 120.897 1.681 . . . . 0.0 114.884 -178.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 127.01 2.124 . . . . 0.0 111.201 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 O-C-N 126.273 2.233 . . . . 0.0 110.42 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 125.385 1.474 . . . . 0.0 107.023 177.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.739 0 C-N-CA 126.566 1.947 . . . . 0.0 112.606 179.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.151 0 CA-C-N 113.182 -1.826 . . . . 0.0 111.49 -177.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.142 0 C-N-CA 123.829 0.852 . . . . 0.0 113.147 -179.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 104.171 -2.529 . . . . 0.0 104.171 177.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 104.797 -2.297 . . . . 0.0 104.797 178.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 128.522 3.639 . . . . 0.0 117.009 -175.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.338 0 N-CA-C 105.33 -3.108 . . . . 0.0 105.33 177.08 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.273 2.324 0 O-C-N 128.543 3.143 . . . . 0.0 106.457 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.244 0.787 0 C-N-CA 118.906 -1.118 . . . . 0.0 112.661 -177.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.748 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 177.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.244 0.816 0 CA-C-O 122.435 1.112 . . . . 0.0 108.077 176.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.283 0 C-N-CA 121.453 1.436 . . . . 0.0 111.875 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 176.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 105.37 -2.085 . . . . 0.0 105.37 177.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 122.774 1.273 . . . . 0.0 110.102 -176.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.175 0 CA-C-N 112.679 -2.055 . . . . 0.0 112.768 178.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.225 0 CA-C-N 118.157 0.979 . . . . 0.0 110.705 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 O-C-N 123.463 1.244 . . . . 0.0 111.646 177.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 103.161 -2.903 . . . . 0.0 103.161 178.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.306 -1.31 0 O-C-N 126.863 2.602 . . . . 0.0 112.222 -178.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.44 -1.641 0 N-CA-C 107.545 -1.752 . . . . 0.0 107.545 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.29 -1.986 0 O-C-N 128.106 3.379 . . . . 0.0 103.008 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.995 0 CA-C-O 115.996 -1.954 . . . . 0.0 108.792 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.833 0 N-CA-C 104.1 -3.6 . . . . 0.0 104.1 -178.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.257 1.499 0 CA-C-O 115.684 -2.103 . . . . 0.0 109.489 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.748 0 N-CA-C 103.71 -2.7 . . . . 0.0 103.71 -176.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.077 0 O-C-N 127.744 3.152 . . . . 0.0 113.538 -178.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 106.356 -1.72 . . . . 0.0 106.356 -177.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.955 0 O-C-N 126.277 2.236 . . . . 0.0 107.687 -179.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.222 -2.34 . . . . 0.0 110.271 -177.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.317 0 N-CA-C 100.677 -3.823 . . . . 0.0 100.677 -178.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.445 -1.327 0 CA-C-O 115.255 -2.061 . . . . 0.0 112.083 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.812 0 CA-C-N 120.706 1.594 . . . . 0.0 109.574 177.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.274 2.382 0 CA-C-N 112.842 -1.981 . . . . 0.0 110.619 178.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.297 0 O-C-N 120.973 -1.08 . . . . 0.0 110.422 178.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.163 0 O-C-N 125.863 1.977 . . . . 0.0 110.287 -178.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.089 0 O-C-N 127.037 2.711 . . . . 0.0 107.043 178.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.611 0 CA-C-O 122.202 1.001 . . . . 0.0 112.916 177.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.887 0 O-C-N 117.439 -3.288 . . . . 0.0 114.611 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.571 1.779 0 O-C-N 125.578 1.799 . . . . 0.0 108.175 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.299 -1.591 1 O-C-N 129.203 4.064 . . . . 0.0 109.784 179.185 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 120.007 -1.683 . . . . 0.0 111.849 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.536 0 C-N-CA 125.103 1.361 . . . . 0.0 112.763 178.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.041 0 C-N-CA 127.968 2.699 . . . . 0.0 114.277 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.273 2.306 0 C-N-CA 128.252 2.621 . . . . 0.0 111.472 -178.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 C-N-CA 117.603 -1.639 . . . . 0.0 107.431 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.287 -2.12 0 CA-C-O 117.291 -1.338 . . . . 0.0 109.004 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.311 0 C-N-CA 122.853 2.368 . . . . 0.0 111.756 177.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 332' ' ' ASN . . . . . . . . . . . . . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.249 1.033 0 O-C-N 118.634 -2.541 . . . . 0.0 115.674 -176.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.052 0 C-N-CA 126.637 1.975 . . . . 0.0 110.865 176.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.945 0 C-N-CA 123.407 2.738 . . . . 0.0 115.478 -179.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 121.264 1.847 . . . . 0.0 113.493 178.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 124.915 1.286 . . . . 0.0 108.04 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.844 0 C-N-CA 119.021 -1.072 . . . . 0.0 109.741 179.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.588 -0.695 . . . . 0.0 109.306 179.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 C--O 1.243 0.741 0 CA-C-N 114.273 -1.33 . . . . 0.0 109.742 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-N 119.552 1.069 . . . . 0.0 111.94 -177.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-O 117.108 -1.425 . . . . 0.0 111.85 -178.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 115.0 1.482 . . . . 0.0 115.0 -178.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.258 1.501 0 CA-C-N 114.592 -1.186 . . . . 0.0 109.149 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-O 124.872 2.273 . . . . 0.0 109.396 178.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.025 0 CA-C-N 112.723 -2.035 . . . . 0.0 111.292 178.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 121.14 1.791 . . . . 0.0 112.785 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.326 0 CA-C-O 118.441 -0.79 . . . . 0.0 112.266 -176.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 O-C-N 124.056 0.847 . . . . 0.0 109.102 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-O 115.196 -2.335 . . . . 0.0 110.908 -178.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.238 0 O-C-N 127.601 3.063 . . . . 0.0 111.014 178.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.294 -1.836 0 C-N-CA 127.406 2.282 . . . . 0.0 113.752 -177.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 126.0 2.062 . . . . 0.0 112.18 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.404 0 CA-C-N 121.359 1.89 . . . . 0.0 114.824 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.26 1.608 0 C-N-CA 124.805 1.242 . . . . 0.0 111.42 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 107.134 -1.432 . . . . 0.0 107.134 178.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 178.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.94 0 O-C-N 124.804 1.315 . . . . 0.0 110.058 -178.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 113.691 -1.595 . . . . 0.0 111.02 178.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 127.162 2.185 . . . . 0.0 112.552 -178.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 113.696 -1.593 . . . . 0.0 111.962 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-O 116.779 -1.582 . . . . 0.0 111.661 -178.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 126.488 2.368 . . . . 0.0 107.556 178.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.033 0 C-N-CA 126.413 1.885 . . . . 0.0 113.107 179.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 115.144 -0.935 . . . . 0.0 109.617 -179.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.182 0 O-C-N 124.45 1.094 . . . . 0.0 108.192 178.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 116.547 -1.692 . . . . 0.0 112.13 179.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.528 0 N-CA-C 115.887 1.81 . . . . 0.0 115.887 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 O-C-N 124.431 1.082 . . . . 0.0 111.099 -177.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.139 0 O-C-N 125.484 1.74 . . . . 0.0 111.338 -178.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.046 0 C-N-CA 127.25 2.22 . . . . 0.0 107.467 179.152 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 500' ' ' MXT . . . . . 0.827 ' O11' H232 ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 600' ' ' MXT . . . . . 0.699 ' O12' H232 ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 1.31 ' H ' ' C11' ' A' ' 500' ' ' MXT . 28.7 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.506 2.329 0 O-C-N 125.664 1.852 . . . . 0.0 106.823 169.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.745 1 O-C-N 129.183 4.254 . . . . 0.0 107.97 -175.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.893 0 CA-C-N 121.029 1.741 . . . . 0.0 112.625 -178.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.502 2.167 0 CA-C-N 114.212 -1.358 . . . . 0.0 110.939 -177.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.177 0 C-N-CA 126.979 2.112 . . . . 0.0 110.247 -177.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.256 1.431 0 O-C-N 120.926 -1.109 . . . . 0.0 109.818 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.591 0 N-CA-C 105.95 -1.87 . . . . 0.0 105.95 -177.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 127.162 2.789 . . . . 0.0 107.83 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.769 0 CA-C-O 115.408 -2.234 . . . . 0.0 106.483 178.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.511 2.59 1 O-C-N 130.713 5.008 . . . . 0.0 106.328 177.216 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.166 0 CA-C-O 113.726 -3.035 . . . . 0.0 105.852 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-N 121.101 1.773 . . . . 0.0 110.045 -177.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.798 0 O-C-N 125.883 1.989 . . . . 0.0 105.811 -176.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.358 0 O-C-N 127.505 3.003 . . . . 0.0 112.747 -176.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.971 0 O-C-N 127.216 2.823 . . . . 0.0 112.224 177.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 122.204 2.274 . . . . 0.0 111.878 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.331 -0.206 0 O-C-N 126.644 2.465 . . . . 0.0 109.707 -174.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.713 0 C-N-CA 124.64 3.56 . . . . 0.0 111.95 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.848 0 CA-C-N 111.741 -2.481 . . . . 0.0 106.736 179.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.239 0 O-C-N 127.532 3.385 . . . . 0.0 107.942 178.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.548 0 C-N-CA 121.843 1.696 . . . . 0.0 108.329 178.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.576 0 O-C-N 127.08 2.737 . . . . 0.0 112.152 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.988 0 C-N-CA 126.805 2.042 . . . . 0.0 114.96 -174.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.681 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 175.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 124.877 1.361 . . . . 0.0 113.655 -175.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.431 0 CA-C-O 117.402 -1.285 . . . . 0.0 112.739 -179.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.253 1.289 0 CA-C-N 121.785 2.084 . . . . 0.0 114.96 179.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.46 0 C-N-CA 122.157 1.905 . . . . 0.0 113.322 178.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.266 1.925 0 C-N-CA 129.81 3.244 . . . . 0.0 112.249 178.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.036 0 O-C-N 119.386 -2.071 . . . . 0.0 109.494 177.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.559 1.31 0 CA-C-O 115.564 -2.16 . . . . 0.0 109.278 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 127.4 2.938 . . . . 0.0 109.381 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.253 1.252 0 O-C-N 120.312 -1.493 . . . . 0.0 112.893 177.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 122.013 0.911 . . . . 0.0 113.328 179.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.265 0 C-N-CA 126.488 1.915 . . . . 0.0 109.242 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.778 0 O-C-N 125.169 1.543 . . . . 0.0 110.265 175.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.152 0 C-N-CA 127.047 2.139 . . . . 0.0 114.59 178.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 1.984 0 CA-C-O 117.11 -1.939 . . . . 0.0 112.35 178.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-N 118.129 0.964 . . . . 0.0 108.497 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 175.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.955 0 C-N-CA 123.913 0.885 . . . . 0.0 112.899 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.488 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 -175.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.098 0 C-N-CA 125.002 1.321 . . . . 0.0 108.086 175.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 177.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.935 0 CA-C-N 114.323 -1.308 . . . . 0.0 110.053 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-O 115.972 -1.966 . . . . 0.0 112.283 178.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.57 0 N-CA-C 116.565 2.061 . . . . 0.0 116.565 -174.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.62 0 CA-C-O 122.775 1.274 . . . . 0.0 112.281 -178.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 122.376 2.05 . . . . 0.0 115.134 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 177.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.257 1.449 0 N-CA-C 115.198 1.555 . . . . 0.0 115.198 178.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.118 0 O-C-N 118.315 -2.74 . . . . 0.0 114.673 -179.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.324 0 N-CA-C 115.977 1.843 . . . . 0.0 115.977 179.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.056 0 CA-C-N 120.29 1.139 . . . . 0.0 114.802 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.264 1.025 . . . . 0.0 112.064 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 O-C-N 125.109 1.506 . . . . 0.0 111.475 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.255 1.366 0 N-CA-C 116.902 2.186 . . . . 0.0 116.902 179.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 127.67 2.388 . . . . 0.0 115.553 -178.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.863 0 N-CA-C 117.114 2.264 . . . . 0.0 117.114 -178.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.043 0 CA-C-O 115.681 -2.733 . . . . 0.0 118.856 177.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.96 0 CA-C-N 124.176 3.988 . . . . 0.0 111.371 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-O 115.59 -2.148 . . . . 0.0 106.292 177.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.539 0 O-C-N 125.554 1.784 . . . . 0.0 107.628 -178.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.256 1.438 0 O-C-N 125.822 1.951 . . . . 0.0 111.49 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-O 122.055 0.931 . . . . 0.0 110.772 179.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.248 1.018 0 N-CA-C 106.758 -1.571 . . . . 0.0 106.758 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.266 1.945 0 O-C-N 126.001 2.063 . . . . 0.0 116.201 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.769 0 CA-C-O 117.944 -1.027 . . . . 0.0 112.594 -178.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 1.993 0 N-CA-C 107.766 -2.134 . . . . 0.0 107.766 -178.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 125.371 2.51 . . . . 0.0 112.683 -177.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.866 0 CA-C-N 110.911 -2.859 . . . . 0.0 110.413 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -0.989 0 O-C-N 126.36 2.288 . . . . 0.0 105.408 176.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.395 0 N-CA-C 117.802 2.519 . . . . 0.0 117.802 -176.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 178.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 103.846 -2.65 . . . . 0.0 103.846 177.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 CA-C-N 112.052 -2.34 . . . . 0.0 108.017 -179.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.254 1.346 0 N-CA-C 118.516 2.166 . . . . 0.0 118.516 -178.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.243 0.712 0 CA-C-N 118.228 1.014 . . . . 0.0 112.25 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.646 0 N-CA-C 112.632 0.605 . . . . 0.0 112.632 -177.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.847 0 CA-C-O 124.225 1.964 . . . . 0.0 110.072 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.879 0 CA-C-N 113.404 -1.726 . . . . 0.0 108.381 -178.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.464 0.527 0 CA-C-N 113.983 -1.462 . . . . 0.0 110.18 179.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 124.831 0.959 . . . . 0.0 110.015 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.974 0 CA-C-N 114.391 -1.277 . . . . 0.0 109.316 179.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.21 0 O-C-N 124.548 1.155 . . . . 0.0 110.152 178.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.31 -0.877 0 N-CA-C 119.05 2.38 . . . . 0.0 119.05 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.214 -0.815 0 O-C-N 120.869 -1.371 . . . . 0.0 109.077 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 178.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.266 1.93 0 O-C-N 125.658 1.849 . . . . 0.0 110.242 179.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.295 0.569 . . . . 0.0 111.871 -179.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 115.773 -2.061 . . . . 0.0 108.781 -177.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.293 -1.857 0 O-C-N 127.218 2.824 . . . . 0.0 110.387 178.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 117.666 -1.159 . . . . 0.0 109.58 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 O-C-N 128.154 3.409 . . . . 0.0 112.828 -177.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.252 1.225 0 O-C-N 125.152 1.532 . . . . 0.0 111.772 -178.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 123.878 0.871 . . . . 0.0 110.207 178.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 118.031 2.604 . . . . 0.0 118.031 175.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.041 0 C-N-CA 124.055 0.942 . . . . 0.0 109.074 177.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 127.408 2.943 . . . . 0.0 111.346 -177.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 130.003 3.321 . . . . 0.0 109.022 178.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.928 0 O-C-N 126.78 2.55 . . . . 0.0 113.78 -178.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 115.245 1.572 . . . . 0.0 115.245 -178.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 124.744 1.277 . . . . 0.0 109.9 178.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 123.973 0.909 . . . . 0.0 109.189 178.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.865 0 C-N-CA 123.513 0.725 . . . . 0.0 112.734 -178.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-O 116.976 -1.487 . . . . 0.0 111.008 -177.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 CA-C-O 116.74 -1.6 . . . . 0.0 110.668 -176.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.154 0 CA-C-N 119.567 1.076 . . . . 0.0 112.818 -178.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.431 -1.399 0 C-N-CA 124.928 1.291 . . . . 0.0 111.638 -178.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 124.984 1.428 . . . . 0.0 108.294 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.295 -1.768 0 O-C-N 126.555 2.41 . . . . 0.0 111.594 -178.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.249 1.028 0 C-N-CA 120.179 -0.608 . . . . 0.0 110.522 177.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.732 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 -177.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 125.68 1.592 . . . . 0.0 111.258 177.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.466 0.657 0 O-C-N 121.286 -0.884 . . . . 0.0 114.26 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 113.283 0.845 . . . . 0.0 113.283 179.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 119.816 -1.803 . . . . 0.0 109.662 -179.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 116.383 1.994 . . . . 0.0 116.383 -176.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 125.252 1.595 . . . . 0.0 110.284 -176.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 112.527 -2.124 . . . . 0.0 108.332 176.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 N-CA-C 104.501 -2.407 . . . . 0.0 104.501 178.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 125.391 1.682 . . . . 0.0 108.289 -177.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.287 0 O-C-N 125.945 2.028 . . . . 0.0 110.967 -175.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.474 -2.48 0 O-C-N 126.252 2.711 . . . . 0.0 115.047 -176.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.505 0 O-C-N 120.409 -1.432 . . . . 0.0 113.824 177.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.352 0 N-CA-C 115.58 1.696 . . . . 0.0 115.58 -176.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.263 1.807 0 CA-C-O 115.094 -2.384 . . . . 0.0 112.784 -178.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.61 0 CA-C-N 120.895 1.679 . . . . 0.0 114.875 -178.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.051 0 C-N-CA 127.018 2.127 . . . . 0.0 111.213 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 O-C-N 126.244 2.215 . . . . 0.0 110.488 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 107.082 -1.451 . . . . 0.0 107.082 177.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.263 1.777 0 C-N-CA 126.547 1.939 . . . . 0.0 112.615 178.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.252 1.2 0 CA-C-N 113.218 -1.81 . . . . 0.0 111.438 -177.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.309 -1.173 0 C-N-CA 123.878 0.871 . . . . 0.0 113.188 -179.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 104.147 -2.538 . . . . 0.0 104.147 177.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 104.831 -2.285 . . . . 0.0 104.831 178.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 128.526 3.641 . . . . 0.0 117.003 -175.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.337 0 N-CA-C 105.262 -3.135 . . . . 0.0 105.262 177.13 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.273 2.316 0 O-C-N 128.496 3.116 . . . . 0.0 106.545 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.244 0.787 0 C-N-CA 118.904 -1.118 . . . . 0.0 112.66 -177.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.745 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 177.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.244 0.797 0 CA-C-O 122.436 1.112 . . . . 0.0 108.067 176.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.285 0 C-N-CA 121.464 1.443 . . . . 0.0 111.864 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 177.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 105.355 -2.091 . . . . 0.0 105.355 177.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 122.778 1.275 . . . . 0.0 110.101 -176.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.165 0 CA-C-N 112.696 -2.047 . . . . 0.0 112.769 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.214 0 CA-C-N 118.142 0.971 . . . . 0.0 110.742 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.928 0 O-C-N 123.49 1.258 . . . . 0.0 111.654 176.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.042 0 N-CA-C 103.165 -2.902 . . . . 0.0 103.165 178.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.306 -1.32 0 O-C-N 126.883 2.615 . . . . 0.0 112.22 -178.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.682 0 N-CA-C 107.573 -1.741 . . . . 0.0 107.573 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.939 0 O-C-N 128.045 3.341 . . . . 0.0 103.039 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.266 1.961 0 CA-C-O 115.971 -1.966 . . . . 0.0 108.795 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.838 0 N-CA-C 104.132 -3.587 . . . . 0.0 104.132 -179.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.257 1.473 0 CA-C-O 115.723 -2.084 . . . . 0.0 109.468 -177.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.569 1.701 0 N-CA-C 103.737 -2.69 . . . . 0.0 103.737 -179.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.061 0 O-C-N 127.68 3.112 . . . . 0.0 113.533 -179.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 106.332 -1.729 . . . . 0.0 106.332 -177.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.949 0 O-C-N 126.329 2.268 . . . . 0.0 107.665 -179.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 118.966 -2.491 . . . . 0.0 110.271 -177.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.295 0 N-CA-C 100.582 -3.859 . . . . 0.0 100.582 -177.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.445 -1.351 0 CA-C-O 115.21 -2.079 . . . . 0.0 112.077 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.823 0 CA-C-N 120.694 1.588 . . . . 0.0 109.554 177.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.421 0 CA-C-N 112.814 -1.994 . . . . 0.0 110.59 178.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.283 0 O-C-N 120.945 -1.097 . . . . 0.0 110.425 178.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.168 0 O-C-N 125.816 1.948 . . . . 0.0 110.236 -178.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.075 0 O-C-N 127.041 2.713 . . . . 0.0 107.056 178.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.599 0 CA-C-O 122.265 1.031 . . . . 0.0 112.97 177.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.903 0 O-C-N 117.426 -3.296 . . . . 0.0 114.575 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.823 0 O-C-N 125.638 1.836 . . . . 0.0 108.172 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.562 1 O-C-N 129.261 4.101 . . . . 0.0 109.774 179.194 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 120.077 -1.639 . . . . 0.0 111.832 179.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.513 0 C-N-CA 125.136 1.374 . . . . 0.0 112.814 178.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.03 0 C-N-CA 127.95 2.69 . . . . 0.0 114.324 -178.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.275 0 C-N-CA 128.279 2.632 . . . . 0.0 111.542 -177.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 C-N-CA 117.58 -1.648 . . . . 0.0 107.385 178.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.287 -2.116 0 CA-C-O 117.252 -1.356 . . . . 0.0 109.009 -178.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.33 0 C-N-CA 122.852 2.368 . . . . 0.0 111.76 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 332' ' ' ASN . . . . . . . . . . . . . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 0.981 0 O-C-N 118.599 -2.563 . . . . 0.0 115.746 -177.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.042 0 C-N-CA 126.566 1.947 . . . . 0.0 110.88 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.939 0 C-N-CA 123.403 2.736 . . . . 0.0 115.442 -178.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-N 121.355 1.888 . . . . 0.0 113.418 177.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 124.948 1.299 . . . . 0.0 108.045 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.85 0 C-N-CA 119.064 -1.054 . . . . 0.0 109.728 179.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.581 -0.699 . . . . 0.0 109.314 179.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 114.222 -1.354 . . . . 0.0 109.706 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-N 119.581 1.082 . . . . 0.0 111.99 -177.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-O 117.072 -1.442 . . . . 0.0 111.845 -178.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 115.093 1.516 . . . . 0.0 115.093 -178.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.494 0 CA-C-N 114.541 -1.209 . . . . 0.0 109.163 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-O 124.851 2.262 . . . . 0.0 109.414 178.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.03 0 CA-C-N 112.748 -2.023 . . . . 0.0 111.29 178.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-N 121.135 1.788 . . . . 0.0 112.757 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.313 0 CA-C-O 118.464 -0.779 . . . . 0.0 112.257 -176.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 O-C-N 124.067 0.854 . . . . 0.0 109.073 -179.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-O 115.284 -2.293 . . . . 0.0 110.904 -178.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.206 0 O-C-N 127.525 3.016 . . . . 0.0 111.077 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.296 -1.759 0 C-N-CA 127.418 2.287 . . . . 0.0 113.742 -177.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 125.962 2.039 . . . . 0.0 112.22 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.384 0 CA-C-N 121.293 1.861 . . . . 0.0 114.825 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.26 1.613 0 C-N-CA 124.781 1.233 . . . . 0.0 111.376 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 107.187 -1.412 . . . . 0.0 107.187 178.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.233 0 N-CA-C 107.308 -1.367 . . . . 0.0 107.308 178.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 O-C-N 124.843 1.339 . . . . 0.0 110.036 -178.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-N 113.645 -1.616 . . . . 0.0 111.052 178.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 127.113 2.165 . . . . 0.0 112.502 -178.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 113.665 -1.607 . . . . 0.0 111.974 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.658 0 CA-C-O 116.739 -1.601 . . . . 0.0 111.709 -178.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 126.56 2.413 . . . . 0.0 107.543 178.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 C--N 1.312 -1.038 0 C-N-CA 126.346 1.858 . . . . 0.0 113.164 179.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.639 -179.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.308 -1.217 0 O-C-N 124.442 1.089 . . . . 0.0 108.188 178.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-O 116.527 -1.701 . . . . 0.0 112.051 179.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.535 0 N-CA-C 115.873 1.805 . . . . 0.0 115.873 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 O-C-N 124.488 1.117 . . . . 0.0 111.07 -177.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.126 0 O-C-N 125.432 1.708 . . . . 0.0 111.355 -178.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.064 0 C-N-CA 127.311 2.245 . . . . 0.0 107.462 179.112 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 500' ' ' MXT . . . . . 1.31 ' C11' ' H ' ' A' ' 41' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 600' ' ' MXT . . . . . 0.904 H232 ' O11' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 31.9 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.308 0 O-C-N 125.664 1.852 . . . . 0.0 106.846 170.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.782 1 O-C-N 129.21 4.268 . . . . 0.0 107.958 -176.218 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.919 0 CA-C-N 121.009 1.731 . . . . 0.0 112.627 -178.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.195 0 CA-C-N 114.231 -1.349 . . . . 0.0 110.905 -177.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.143 0 C-N-CA 126.993 2.117 . . . . 0.0 110.231 -177.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.451 0 O-C-N 120.938 -1.101 . . . . 0.0 109.825 179.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.564 0 N-CA-C 105.903 -1.888 . . . . 0.0 105.903 -177.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 127.141 2.775 . . . . 0.0 107.847 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.572 1.795 0 CA-C-O 115.398 -2.239 . . . . 0.0 106.451 177.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 C--N 1.277 -2.572 1 O-C-N 130.719 5.012 . . . . 0.0 106.327 177.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.162 0 CA-C-O 113.734 -3.031 . . . . 0.0 105.886 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-N 121.197 1.817 . . . . 0.0 110.038 -177.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.804 0 O-C-N 125.86 1.975 . . . . 0.0 105.756 -176.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.379 0 O-C-N 127.504 3.002 . . . . 0.0 112.754 -176.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.93 0 O-C-N 127.224 2.828 . . . . 0.0 112.267 177.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 122.147 2.249 . . . . 0.0 111.891 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.331 -0.235 0 O-C-N 126.663 2.477 . . . . 0.0 109.729 -174.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--O 1.242 0.702 0 C-N-CA 124.626 3.551 . . . . 0.0 111.943 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.864 0 CA-C-N 111.77 -2.468 . . . . 0.0 106.715 179.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.245 0 O-C-N 127.508 3.373 . . . . 0.0 107.933 178.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.514 0 C-N-CA 121.843 1.695 . . . . 0.0 108.345 178.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.58 0 O-C-N 127.064 2.728 . . . . 0.0 112.207 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.291 -1.967 0 C-N-CA 126.781 2.032 . . . . 0.0 114.951 -174.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.57 1.714 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 175.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 124.946 1.404 . . . . 0.0 113.682 -175.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.445 0 CA-C-O 117.4 -1.286 . . . . 0.0 112.804 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.302 0 CA-C-N 121.737 2.062 . . . . 0.0 114.942 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.474 0 C-N-CA 122.156 1.904 . . . . 0.0 113.316 178.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.915 0 C-N-CA 129.774 3.229 . . . . 0.0 112.274 178.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.042 0 O-C-N 119.404 -2.06 . . . . 0.0 109.485 178.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.559 1.31 0 CA-C-O 115.587 -2.149 . . . . 0.0 109.256 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 127.39 2.931 . . . . 0.0 109.402 179.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.253 1.276 0 O-C-N 120.274 -1.516 . . . . 0.0 112.883 177.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 122.042 0.925 . . . . 0.0 113.369 179.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.306 -1.285 0 C-N-CA 126.471 1.908 . . . . 0.0 109.285 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 125.081 1.488 . . . . 0.0 110.262 175.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.146 0 C-N-CA 127.109 2.163 . . . . 0.0 114.624 178.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 1.981 0 CA-C-O 117.088 -1.951 . . . . 0.0 112.342 178.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.415 0 CA-C-N 118.138 0.969 . . . . 0.0 108.504 179.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 176.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.246 0.918 0 C-N-CA 123.946 0.898 . . . . 0.0 112.893 -179.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.256 1.429 0 N-CA-C 114.973 1.472 . . . . 0.0 114.973 -175.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.105 0 C-N-CA 125.044 1.337 . . . . 0.0 108.104 175.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.873 0 O-C-N 124.524 1.14 . . . . 0.0 107.93 177.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.21 -0.985 0 CA-C-N 114.279 -1.328 . . . . 0.0 110.115 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-O 115.99 -1.957 . . . . 0.0 112.298 178.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.558 0 C-N-CA 126.859 2.063 . . . . 0.0 116.557 -174.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.602 0 CA-C-O 122.771 1.272 . . . . 0.0 112.29 -178.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 122.401 2.068 . . . . 0.0 115.096 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 177.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.42 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 178.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.497 -1.079 0 O-C-N 118.286 -2.759 . . . . 0.0 114.625 -179.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.333 0 N-CA-C 115.971 1.841 . . . . 0.0 115.971 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.057 0 CA-C-N 120.248 1.124 . . . . 0.0 114.859 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.296 1.038 . . . . 0.0 112.03 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 O-C-N 125.069 1.481 . . . . 0.0 111.481 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.253 1.287 0 N-CA-C 116.891 2.182 . . . . 0.0 116.891 179.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 127.623 2.369 . . . . 0.0 115.527 -178.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.246 0.88 0 N-CA-C 117.133 2.272 . . . . 0.0 117.133 -178.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.079 0 CA-C-O 115.692 -2.727 . . . . 0.0 118.873 177.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.958 0 CA-C-N 124.184 3.992 . . . . 0.0 111.364 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-O 115.665 -2.112 . . . . 0.0 106.255 177.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.302 -1.491 0 O-C-N 125.468 1.73 . . . . 0.0 107.627 -179.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.258 1.507 0 O-C-N 125.767 1.917 . . . . 0.0 111.499 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.366 0 CA-C-O 122.112 0.958 . . . . 0.0 110.727 179.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.248 1.023 0 N-CA-C 106.748 -1.575 . . . . 0.0 106.748 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 1.974 0 O-C-N 126.045 2.091 . . . . 0.0 116.204 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.806 0 CA-C-O 117.948 -1.025 . . . . 0.0 112.614 -178.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.485 1.955 0 N-CA-C 107.841 -2.103 . . . . 0.0 107.841 -178.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 125.353 2.501 . . . . 0.0 112.647 -177.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.826 0 CA-C-N 110.91 -2.859 . . . . 0.0 110.399 179.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -0.979 0 O-C-N 126.365 2.291 . . . . 0.0 105.397 176.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.377 0 N-CA-C 117.805 2.52 . . . . 0.0 117.805 -176.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 178.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 103.816 -2.661 . . . . 0.0 103.816 177.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 CA-C-N 112.026 -2.352 . . . . 0.0 108.049 -179.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.254 1.35 0 N-CA-C 118.527 2.171 . . . . 0.0 118.527 -178.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.702 0 O-C-N 121.47 -1.018 . . . . 0.0 112.203 -179.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.654 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -177.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.859 0 CA-C-O 124.167 1.937 . . . . 0.0 110.072 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.912 0 CA-C-N 113.398 -1.728 . . . . 0.0 108.362 -178.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 C--N 1.318 -0.469 0 CA-C-N 114.082 -1.417 . . . . 0.0 110.178 179.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 124.841 0.965 . . . . 0.0 110.0 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.996 0 CA-C-N 114.384 -1.28 . . . . 0.0 109.362 179.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 124.522 1.138 . . . . 0.0 110.174 178.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 CA--C 1.501 -0.831 0 N-CA-C 119.059 2.383 . . . . 0.0 119.059 -179.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.837 0 O-C-N 120.867 -1.373 . . . . 0.0 109.104 179.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 178.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.881 0 O-C-N 125.687 1.867 . . . . 0.0 110.276 179.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.32 0.581 . . . . 0.0 111.869 -179.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 115.704 -2.093 . . . . 0.0 108.765 -177.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.293 -1.891 0 O-C-N 127.282 2.864 . . . . 0.0 110.398 178.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-O 117.637 -1.173 . . . . 0.0 109.567 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 O-C-N 128.157 3.411 . . . . 0.0 112.832 -177.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.252 1.232 0 O-C-N 125.149 1.53 . . . . 0.0 111.709 -178.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 123.848 0.859 . . . . 0.0 110.147 178.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.959 0 N-CA-C 118.019 2.6 . . . . 0.0 118.019 175.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.05 0 C-N-CA 124.069 0.947 . . . . 0.0 109.106 177.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 127.435 2.96 . . . . 0.0 111.364 -177.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.373 0 C-N-CA 129.969 3.308 . . . . 0.0 108.986 178.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.962 0 O-C-N 126.729 2.518 . . . . 0.0 113.748 -178.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 115.3 1.593 . . . . 0.0 115.3 -178.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 124.723 1.264 . . . . 0.0 109.931 178.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.39 0 C-N-CA 124.022 0.929 . . . . 0.0 109.188 179.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.862 0 C-N-CA 123.503 0.721 . . . . 0.0 112.733 -178.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-O 116.99 -1.481 . . . . 0.0 110.978 -177.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 CA-C-O 116.754 -1.593 . . . . 0.0 110.723 -176.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.143 0 CA-C-N 119.556 1.071 . . . . 0.0 112.847 -178.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 124.939 1.296 . . . . 0.0 111.702 -178.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 125.053 1.471 . . . . 0.0 108.288 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 126.566 2.417 . . . . 0.0 111.623 -178.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.002 0 O-C-N 123.684 0.615 . . . . 0.0 110.498 177.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 -177.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 125.649 1.58 . . . . 0.0 111.258 177.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 C--O 1.243 0.656 0 O-C-N 121.353 -0.842 . . . . 0.0 114.251 -179.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.621 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 179.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 119.823 -1.798 . . . . 0.0 109.622 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 116.351 1.982 . . . . 0.0 116.351 -176.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 125.225 1.578 . . . . 0.0 110.323 -176.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 112.513 -2.13 . . . . 0.0 108.295 176.038 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 N-CA-C 104.487 -2.412 . . . . 0.0 104.487 178.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 125.399 1.687 . . . . 0.0 108.285 -177.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.29 0 O-C-N 125.922 2.014 . . . . 0.0 110.992 -175.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.447 0 O-C-N 126.282 2.727 . . . . 0.0 115.072 -176.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.526 0 O-C-N 120.393 -1.442 . . . . 0.0 113.827 177.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.374 0 N-CA-C 115.612 1.708 . . . . 0.0 115.612 -176.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.264 1.834 0 CA-C-O 115.111 -2.376 . . . . 0.0 112.729 -178.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.653 0 CA-C-N 120.952 1.706 . . . . 0.0 114.833 -178.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.311 -1.08 0 C-N-CA 127.063 2.145 . . . . 0.0 111.173 -179.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 O-C-N 126.171 2.169 . . . . 0.0 110.481 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 125.387 1.475 . . . . 0.0 107.03 177.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.726 0 C-N-CA 126.597 1.959 . . . . 0.0 112.635 179.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.15 0 CA-C-N 113.154 -1.839 . . . . 0.0 111.437 -177.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.126 0 C-N-CA 123.864 0.866 . . . . 0.0 113.114 -179.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 104.159 -2.534 . . . . 0.0 104.159 177.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 104.869 -2.271 . . . . 0.0 104.869 178.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 128.512 3.633 . . . . 0.0 116.965 -175.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.339 0 N-CA-C 105.255 -3.138 . . . . 0.0 105.255 177.084 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.273 2.33 0 O-C-N 128.504 3.12 . . . . 0.0 106.504 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.244 0.803 0 C-N-CA 118.91 -1.116 . . . . 0.0 112.673 -177.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.77 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 177.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.823 0 CA-C-O 122.46 1.124 . . . . 0.0 108.088 176.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 121.487 1.458 . . . . 0.0 111.868 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 177.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 105.343 -2.095 . . . . 0.0 105.343 177.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 122.813 1.292 . . . . 0.0 110.076 -176.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.168 0 CA-C-N 112.706 -2.043 . . . . 0.0 112.742 179.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.222 0 CA-C-N 118.18 0.99 . . . . 0.0 110.707 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.963 0 O-C-N 123.444 1.234 . . . . 0.0 111.619 177.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 103.143 -2.91 . . . . 0.0 103.143 178.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.338 0 O-C-N 126.908 2.63 . . . . 0.0 112.237 -178.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.697 0 N-CA-C 107.557 -1.747 . . . . 0.0 107.557 -179.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.974 0 O-C-N 128.131 3.394 . . . . 0.0 102.982 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.982 0 CA-C-O 115.993 -1.956 . . . . 0.0 108.803 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.544 1.849 0 N-CA-C 104.108 -3.597 . . . . 0.0 104.108 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.537 0 CA-C-O 115.687 -2.101 . . . . 0.0 109.458 -178.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.742 0 N-CA-C 103.657 -2.72 . . . . 0.0 103.657 -179.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.059 0 O-C-N 127.769 3.168 . . . . 0.0 113.524 -177.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 -178.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.955 0 O-C-N 126.286 2.241 . . . . 0.0 107.638 -179.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.563 -2.139 . . . . 0.0 110.271 -177.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.32 0 N-CA-C 100.578 -3.86 . . . . 0.0 100.578 -174.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.445 -1.345 0 CA-C-O 115.234 -2.069 . . . . 0.0 112.096 178.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.272 -2.8 0 CA-C-N 120.69 1.586 . . . . 0.0 109.547 177.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.43 0 CA-C-N 112.834 -1.985 . . . . 0.0 110.589 178.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.322 0 O-C-N 120.955 -1.091 . . . . 0.0 110.433 178.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.169 0 O-C-N 125.795 1.935 . . . . 0.0 110.298 -178.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.072 0 O-C-N 127.054 2.721 . . . . 0.0 107.019 178.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.626 0 CA-C-O 122.205 1.002 . . . . 0.0 112.958 177.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.44 -0.927 0 O-C-N 117.466 -3.271 . . . . 0.0 114.576 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.799 0 O-C-N 125.605 1.816 . . . . 0.0 108.152 179.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.299 -1.604 1 O-C-N 129.258 4.099 . . . . 0.0 109.759 179.215 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 120.09 -1.631 . . . . 0.0 111.84 179.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.302 -1.494 0 C-N-CA 125.124 1.37 . . . . 0.0 112.782 178.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.049 0 C-N-CA 128.027 2.727 . . . . 0.0 114.307 -178.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.254 0 C-N-CA 128.252 2.621 . . . . 0.0 111.515 -177.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 C-N-CA 117.571 -1.652 . . . . 0.0 107.41 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.102 0 CA-C-O 117.275 -1.345 . . . . 0.0 109.014 -179.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.314 -1.261 0 C-N-CA 122.859 2.373 . . . . 0.0 111.768 178.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 332' ' ' ASN . . . . . . . . . . . . . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.005 0 O-C-N 118.657 -2.527 . . . . 0.0 115.743 -177.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.043 0 C-N-CA 126.645 1.978 . . . . 0.0 110.912 178.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.954 0 C-N-CA 123.416 2.744 . . . . 0.0 115.488 177.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-N 121.278 1.853 . . . . 0.0 113.461 178.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 124.96 1.304 . . . . 0.0 108.034 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.837 0 C-N-CA 119.057 -1.057 . . . . 0.0 109.724 179.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.576 -0.703 . . . . 0.0 109.261 179.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 114.24 -1.345 . . . . 0.0 109.725 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-N 119.609 1.095 . . . . 0.0 111.995 -177.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-O 117.101 -1.428 . . . . 0.0 111.918 -178.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 115.019 1.489 . . . . 0.0 115.019 -178.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.484 0 CA-C-N 114.567 -1.197 . . . . 0.0 109.155 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-O 124.856 2.265 . . . . 0.0 109.474 178.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.499 -1.019 0 CA-C-N 112.728 -2.033 . . . . 0.0 111.268 178.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.295 -1.762 0 CA-C-N 121.156 1.798 . . . . 0.0 112.742 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.317 0 CA-C-O 118.43 -0.795 . . . . 0.0 112.271 -176.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 O-C-N 124.11 0.881 . . . . 0.0 109.08 -179.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-O 115.242 -2.313 . . . . 0.0 110.915 -178.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.309 -1.181 0 O-C-N 127.586 3.054 . . . . 0.0 111.043 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.788 0 C-N-CA 127.364 2.266 . . . . 0.0 113.754 -177.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 126.001 2.063 . . . . 0.0 112.2 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.391 0 CA-C-N 121.326 1.875 . . . . 0.0 114.785 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.588 0 C-N-CA 124.857 1.263 . . . . 0.0 111.415 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 107.165 -1.42 . . . . 0.0 107.165 179.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 178.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 O-C-N 124.86 1.35 . . . . 0.0 110.062 -178.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-N 113.633 -1.621 . . . . 0.0 110.995 178.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 127.146 2.178 . . . . 0.0 112.526 -178.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 113.718 -1.583 . . . . 0.0 111.931 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-O 116.77 -1.586 . . . . 0.0 111.69 -178.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 126.512 2.382 . . . . 0.0 107.556 178.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.065 0 C-N-CA 126.376 1.87 . . . . 0.0 113.18 179.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.64 -179.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.193 0 O-C-N 124.459 1.099 . . . . 0.0 108.227 178.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 116.573 -1.679 . . . . 0.0 112.11 179.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.257 1.478 0 N-CA-C 115.878 1.807 . . . . 0.0 115.878 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 O-C-N 124.497 1.123 . . . . 0.0 111.16 -177.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.115 0 O-C-N 125.431 1.707 . . . . 0.0 111.362 -178.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.042 0 C-N-CA 127.298 2.239 . . . . 0.0 107.44 179.145 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 500' ' ' MXT . . . . . 0.897 H232 ' O11' ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 600' ' ' MXT . . . . . 0.72 ' O12' H232 ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.435 ' C ' ' O12' ' A' ' 500' ' ' MXT . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 1.032 ' N ' ' O12' ' A' ' 500' ' ' MXT . 6.6 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.323 0 O-C-N 125.664 1.852 . . . . 0.0 106.871 169.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.746 1 O-C-N 129.21 4.269 . . . . 0.0 107.952 -175.646 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.897 0 CA-C-N 120.998 1.727 . . . . 0.0 112.648 -178.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.195 0 CA-C-N 114.219 -1.355 . . . . 0.0 110.89 -176.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.198 0 C-N-CA 126.971 2.109 . . . . 0.0 110.242 -176.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.475 0 O-C-N 120.915 -1.115 . . . . 0.0 109.817 178.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.258 1.551 0 N-CA-C 105.921 -1.881 . . . . 0.0 105.921 -177.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 127.171 2.795 . . . . 0.0 107.849 179.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.783 0 CA-C-O 115.408 -2.234 . . . . 0.0 106.457 177.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.537 1 O-C-N 130.676 4.985 . . . . 0.0 106.3 177.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.152 0 CA-C-O 113.775 -3.012 . . . . 0.0 105.834 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-N 121.134 1.788 . . . . 0.0 110.024 -177.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 125.894 1.996 . . . . 0.0 105.784 -176.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.367 0 O-C-N 127.464 2.977 . . . . 0.0 112.752 -176.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.953 0 O-C-N 127.235 2.834 . . . . 0.0 112.246 177.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.928 0 O-C-N 119.067 -2.271 . . . . 0.0 111.888 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--O 1.226 -0.177 0 O-C-N 126.667 2.479 . . . . 0.0 109.707 -174.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.754 0 C-N-CA 124.717 3.612 . . . . 0.0 111.962 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.477 0.881 0 CA-C-N 111.694 -2.503 . . . . 0.0 106.742 179.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.249 0 O-C-N 127.526 3.382 . . . . 0.0 107.937 178.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.52 0 C-N-CA 121.829 1.686 . . . . 0.0 108.369 178.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.598 0 O-C-N 127.04 2.712 . . . . 0.0 112.211 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.985 0 C-N-CA 126.77 2.028 . . . . 0.0 114.955 -174.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.698 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 175.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 124.922 1.389 . . . . 0.0 113.591 -175.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.408 0 CA-C-O 117.387 -1.292 . . . . 0.0 112.74 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.253 1.263 0 CA-C-N 121.765 2.075 . . . . 0.0 115.008 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.45 0 C-N-CA 122.127 1.885 . . . . 0.0 113.368 178.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.91 0 C-N-CA 129.76 3.224 . . . . 0.0 112.247 178.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.311 -1.079 0 O-C-N 119.437 -2.039 . . . . 0.0 109.532 177.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.559 1.304 0 CA-C-O 115.583 -2.151 . . . . 0.0 109.243 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 127.397 2.935 . . . . 0.0 109.402 179.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.226 0 O-C-N 120.341 -1.475 . . . . 0.0 112.91 177.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-O 122.07 0.938 . . . . 0.0 113.36 179.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.259 0 C-N-CA 126.497 1.919 . . . . 0.0 109.247 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 125.093 1.496 . . . . 0.0 110.269 175.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.153 0 C-N-CA 127.084 2.153 . . . . 0.0 114.586 178.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.547 2.058 0 CA-C-O 117.034 -1.981 . . . . 0.0 112.338 178.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-N 118.121 0.96 . . . . 0.0 108.485 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 107.308 -1.367 . . . . 0.0 107.308 176.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.951 0 C-N-CA 123.924 0.89 . . . . 0.0 112.832 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.499 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 -175.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.099 0 C-N-CA 125.056 1.342 . . . . 0.0 108.088 175.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 177.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.936 0 CA-C-N 114.262 -1.336 . . . . 0.0 110.098 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-O 115.991 -1.956 . . . . 0.0 112.311 178.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.549 0 N-CA-C 116.558 2.059 . . . . 0.0 116.558 -174.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.63 0 CA-C-O 122.768 1.271 . . . . 0.0 112.317 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 122.38 2.053 . . . . 0.0 115.121 -179.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 107.497 -1.298 . . . . 0.0 107.497 177.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.435 0 N-CA-C 115.146 1.536 . . . . 0.0 115.146 178.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.114 0 O-C-N 118.281 -2.762 . . . . 0.0 114.636 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.297 0 N-CA-C 115.943 1.831 . . . . 0.0 115.943 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.038 0 CA-C-N 120.274 1.134 . . . . 0.0 114.896 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.258 1.023 . . . . 0.0 112.035 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 O-C-N 125.064 1.477 . . . . 0.0 111.46 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.318 0 N-CA-C 116.966 2.209 . . . . 0.0 116.966 179.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 127.665 2.386 . . . . 0.0 115.533 -178.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.246 0.884 0 N-CA-C 117.1 2.259 . . . . 0.0 117.1 -178.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.051 0 CA-C-O 115.689 -2.729 . . . . 0.0 118.863 177.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.29 -1.994 0 CA-C-N 124.149 3.975 . . . . 0.0 111.364 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-O 115.656 -2.116 . . . . 0.0 106.273 177.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.508 0 O-C-N 125.488 1.743 . . . . 0.0 107.633 -178.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.256 1.43 0 O-C-N 125.757 1.91 . . . . 0.0 111.499 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-O 122.113 0.959 . . . . 0.0 110.724 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.076 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 1.993 0 O-C-N 126.026 2.079 . . . . 0.0 116.225 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.264 1.822 0 CA-C-O 117.946 -1.026 . . . . 0.0 112.608 -178.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 1.978 0 N-CA-C 107.791 -2.124 . . . . 0.0 107.791 -178.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 125.358 2.504 . . . . 0.0 112.698 -177.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.816 0 CA-C-N 110.936 -2.847 . . . . 0.0 110.383 179.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -0.983 0 O-C-N 126.368 2.292 . . . . 0.0 105.393 176.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.366 0 N-CA-C 117.835 2.532 . . . . 0.0 117.835 -176.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 178.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 103.851 -2.648 . . . . 0.0 103.851 177.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 CA-C-N 112.023 -2.353 . . . . 0.0 108.041 -179.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.288 0 N-CA-C 118.495 2.158 . . . . 0.0 118.495 -178.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.684 0 O-C-N 121.512 -0.993 . . . . 0.0 112.229 -179.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.663 0 O-C-N 123.697 0.623 . . . . 0.0 112.62 -177.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.827 0 CA-C-O 124.215 1.959 . . . . 0.0 110.103 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.874 0 CA-C-N 113.425 -1.716 . . . . 0.0 108.423 -178.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.464 0.501 0 CA-C-N 114.007 -1.451 . . . . 0.0 110.162 179.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 124.765 0.921 . . . . 0.0 110.037 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.992 0 CA-C-N 114.329 -1.305 . . . . 0.0 109.381 179.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.202 0 O-C-N 124.493 1.121 . . . . 0.0 110.185 178.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.841 0 N-CA-C 119.044 2.378 . . . . 0.0 119.044 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.828 0 O-C-N 120.829 -1.395 . . . . 0.0 109.119 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 107.126 -1.435 . . . . 0.0 107.126 178.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.881 0 O-C-N 125.663 1.852 . . . . 0.0 110.288 179.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.248 0.547 . . . . 0.0 111.824 -179.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 115.753 -2.07 . . . . 0.0 108.82 -177.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.907 0 O-C-N 127.266 2.854 . . . . 0.0 110.353 178.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 117.663 -1.161 . . . . 0.0 109.569 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 O-C-N 128.112 3.383 . . . . 0.0 112.841 -177.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.254 1.307 0 O-C-N 125.175 1.547 . . . . 0.0 111.732 -178.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 123.857 0.863 . . . . 0.0 110.202 178.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.292 -1.93 0 N-CA-C 118.034 2.605 . . . . 0.0 118.034 175.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.028 0 C-N-CA 124.056 0.942 . . . . 0.0 109.118 177.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 127.46 2.975 . . . . 0.0 111.383 -177.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.408 0 C-N-CA 129.995 3.318 . . . . 0.0 108.973 178.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.246 0.919 0 O-C-N 126.782 2.552 . . . . 0.0 113.747 -178.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 115.266 1.58 . . . . 0.0 115.266 -178.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 124.724 1.265 . . . . 0.0 109.956 178.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.379 0 C-N-CA 123.994 0.918 . . . . 0.0 109.198 179.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.315 -0.909 0 C-N-CA 123.478 0.711 . . . . 0.0 112.688 -178.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-O 116.984 -1.484 . . . . 0.0 111.018 -177.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.638 0 CA-C-O 116.721 -1.609 . . . . 0.0 110.695 -176.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.159 0 CA-C-N 119.547 1.067 . . . . 0.0 112.885 -178.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 124.931 1.292 . . . . 0.0 111.641 -178.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 125.028 1.455 . . . . 0.0 108.276 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 126.587 2.429 . . . . 0.0 111.582 -178.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.249 1.038 0 C-N-CA 120.198 -0.601 . . . . 0.0 110.539 177.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.744 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 -177.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 125.634 1.574 . . . . 0.0 111.252 177.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 C--O 1.243 0.676 0 O-C-N 121.328 -0.857 . . . . 0.0 114.262 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 179.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 119.857 -1.777 . . . . 0.0 109.677 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.876 0 N-CA-C 116.369 1.989 . . . . 0.0 116.369 -176.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 125.264 1.602 . . . . 0.0 110.328 -176.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 112.558 -2.11 . . . . 0.0 108.307 176.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 N-CA-C 104.486 -2.412 . . . . 0.0 104.486 178.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 125.414 1.696 . . . . 0.0 108.277 -177.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.28 0 O-C-N 125.915 2.01 . . . . 0.0 110.969 -175.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.453 0 O-C-N 126.295 2.734 . . . . 0.0 115.073 -176.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.257 1.497 0 O-C-N 120.442 -1.411 . . . . 0.0 113.814 177.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.376 0 N-CA-C 115.617 1.71 . . . . 0.0 115.617 -176.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.263 1.808 0 CA-C-O 115.066 -2.397 . . . . 0.0 112.734 -178.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.644 0 CA-C-N 120.946 1.703 . . . . 0.0 114.835 -177.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.026 0 C-N-CA 127.039 2.136 . . . . 0.0 111.234 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 O-C-N 126.214 2.196 . . . . 0.0 110.489 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 107.061 -1.459 . . . . 0.0 107.061 177.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.742 0 C-N-CA 126.621 1.969 . . . . 0.0 112.586 179.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.161 0 CA-C-N 113.193 -1.821 . . . . 0.0 111.403 -177.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.309 -1.153 0 C-N-CA 123.844 0.858 . . . . 0.0 113.199 -179.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 104.154 -2.535 . . . . 0.0 104.154 177.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 104.846 -2.279 . . . . 0.0 104.846 178.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 128.494 3.621 . . . . 0.0 116.967 -175.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.584 4.358 0 N-CA-C 105.267 -3.133 . . . . 0.0 105.267 177.075 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.353 0 O-C-N 128.527 3.133 . . . . 0.0 106.543 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.244 0.814 0 C-N-CA 118.924 -1.111 . . . . 0.0 112.657 -177.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.745 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 177.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.244 0.816 0 CA-C-O 122.467 1.127 . . . . 0.0 108.1 176.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.27 0 C-N-CA 121.457 1.438 . . . . 0.0 111.873 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 177.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 105.384 -2.08 . . . . 0.0 105.384 177.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 122.754 1.264 . . . . 0.0 110.084 -176.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.161 0 CA-C-N 112.699 -2.046 . . . . 0.0 112.771 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.21 0 CA-C-N 118.139 0.97 . . . . 0.0 110.711 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.926 0 O-C-N 123.485 1.255 . . . . 0.0 111.628 177.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.046 0 N-CA-C 103.161 -2.903 . . . . 0.0 103.161 178.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.306 -1.323 0 O-C-N 126.865 2.603 . . . . 0.0 112.233 -178.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.715 0 N-CA-C 107.58 -1.739 . . . . 0.0 107.58 -179.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.939 0 O-C-N 128.082 3.364 . . . . 0.0 103.025 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.266 1.948 0 CA-C-O 115.97 -1.966 . . . . 0.0 108.837 -179.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.843 0 N-CA-C 104.092 -3.603 . . . . 0.0 104.092 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.532 0 CA-C-O 115.699 -2.096 . . . . 0.0 109.491 -177.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.569 1.701 0 N-CA-C 103.728 -2.693 . . . . 0.0 103.728 -179.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.066 0 O-C-N 127.741 3.151 . . . . 0.0 113.493 -176.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 106.306 -1.738 . . . . 0.0 106.306 -178.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.933 0 O-C-N 126.31 2.256 . . . . 0.0 107.651 -178.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 120.077 -1.837 . . . . 0.0 110.271 -177.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.335 0 N-CA-C 100.631 -3.84 . . . . 0.0 100.631 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.445 -1.331 0 CA-C-O 115.223 -2.074 . . . . 0.0 112.081 179.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.272 -2.771 0 CA-C-N 120.739 1.609 . . . . 0.0 109.562 177.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.406 0 CA-C-N 112.881 -1.963 . . . . 0.0 110.602 178.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.434 -1.269 0 O-C-N 120.924 -1.11 . . . . 0.0 110.391 178.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.556 1.192 0 O-C-N 125.827 1.954 . . . . 0.0 110.244 -178.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.289 -2.046 0 O-C-N 127.082 2.739 . . . . 0.0 107.052 178.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.484 -1.58 0 CA-C-O 122.191 0.996 . . . . 0.0 112.908 177.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.442 -0.862 0 O-C-N 117.495 -3.253 . . . . 0.0 114.594 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.571 1.787 0 O-C-N 125.6 1.812 . . . . 0.0 108.17 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.582 1 O-C-N 129.28 4.113 . . . . 0.0 109.733 179.217 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 120.0 -1.688 . . . . 0.0 111.877 179.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.3 -1.551 0 C-N-CA 125.134 1.373 . . . . 0.0 112.753 178.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.047 0 C-N-CA 127.98 2.705 . . . . 0.0 114.285 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.273 2.327 0 C-N-CA 128.216 2.606 . . . . 0.0 111.488 -177.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 C-N-CA 117.608 -1.637 . . . . 0.0 107.368 179.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.287 -2.109 0 CA-C-O 117.312 -1.328 . . . . 0.0 108.978 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.314 -1.267 0 C-N-CA 122.886 2.391 . . . . 0.0 111.723 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 332' ' ' ASN . . . . . . . . . . . . . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.247 0.97 0 O-C-N 118.696 -2.502 . . . . 0.0 115.697 -177.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.029 0 C-N-CA 126.567 1.947 . . . . 0.0 110.884 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.926 0 C-N-CA 123.413 2.742 . . . . 0.0 115.495 179.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-N 121.326 1.875 . . . . 0.0 113.467 178.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 124.949 1.299 . . . . 0.0 108.013 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.847 0 C-N-CA 119.075 -1.05 . . . . 0.0 109.738 179.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.569 -0.707 . . . . 0.0 109.31 179.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 114.225 -1.352 . . . . 0.0 109.765 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 119.548 1.067 . . . . 0.0 111.954 -177.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 117.066 -1.445 . . . . 0.0 111.858 -178.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.464 0 CA-C-N 114.563 -1.199 . . . . 0.0 109.191 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-O 124.867 2.27 . . . . 0.0 109.446 178.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.033 0 CA-C-N 112.733 -2.031 . . . . 0.0 111.275 178.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-N 121.138 1.79 . . . . 0.0 112.718 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.335 0 CA-C-O 118.476 -0.773 . . . . 0.0 112.31 -176.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 O-C-N 124.076 0.86 . . . . 0.0 109.121 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-O 115.237 -2.316 . . . . 0.0 110.854 -178.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.199 0 O-C-N 127.567 3.042 . . . . 0.0 111.025 179.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.296 -1.754 0 C-N-CA 127.409 2.283 . . . . 0.0 113.792 -177.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 125.964 2.04 . . . . 0.0 112.17 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.255 1.414 0 CA-C-N 121.355 1.889 . . . . 0.0 114.788 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.59 0 C-N-CA 124.798 1.239 . . . . 0.0 111.413 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 178.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 178.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 O-C-N 124.774 1.296 . . . . 0.0 110.003 -178.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-N 113.67 -1.604 . . . . 0.0 111.046 178.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.302 -1.486 0 C-N-CA 127.15 2.18 . . . . 0.0 112.505 -178.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 113.703 -1.59 . . . . 0.0 111.979 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-O 116.749 -1.596 . . . . 0.0 111.726 -178.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 126.509 2.381 . . . . 0.0 107.539 178.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.074 0 C-N-CA 126.445 1.898 . . . . 0.0 113.16 179.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.651 -179.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.173 0 O-C-N 124.435 1.084 . . . . 0.0 108.215 178.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-O 116.594 -1.67 . . . . 0.0 112.095 179.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.257 1.492 0 N-CA-C 115.879 1.807 . . . . 0.0 115.879 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 O-C-N 124.482 1.114 . . . . 0.0 111.127 -177.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.126 0 O-C-N 125.477 1.736 . . . . 0.0 111.355 -178.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.076 0 C-N-CA 127.302 2.241 . . . . 0.0 107.409 179.138 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 500' ' ' MXT . . . . . 1.032 ' O12' ' N ' ' A' ' 41' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 600' ' ' MXT . . . . . 0.882 H232 ' O11' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 25.6 t -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.317 0 O-C-N 125.664 1.852 . . . . 0.0 106.87 171.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.707 1 O-C-N 129.201 4.263 . . . . 0.0 108.019 -177.045 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.904 0 CA-C-N 121.04 1.746 . . . . 0.0 112.628 -178.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.177 0 CA-C-N 114.237 -1.347 . . . . 0.0 110.912 -178.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.195 0 C-N-CA 127.013 2.125 . . . . 0.0 110.288 -177.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.256 1.44 0 O-C-N 120.914 -1.116 . . . . 0.0 109.818 -179.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.26 1.616 0 N-CA-C 105.928 -1.878 . . . . 0.0 105.928 -177.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 127.099 2.75 . . . . 0.0 107.848 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.57 1.75 0 CA-C-O 115.422 -2.227 . . . . 0.0 106.465 178.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.553 1 O-C-N 130.656 4.973 . . . . 0.0 106.319 177.248 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.154 0 CA-C-O 113.72 -3.038 . . . . 0.0 105.873 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-N 121.122 1.783 . . . . 0.0 110.04 -177.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 125.855 1.972 . . . . 0.0 105.785 -176.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.349 0 O-C-N 127.552 3.033 . . . . 0.0 112.765 -176.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.95 0 O-C-N 127.262 2.851 . . . . 0.0 112.255 177.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.314 -0.942 0 O-C-N 119.06 -2.275 . . . . 0.0 111.888 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--O 1.224 -0.24 0 O-C-N 126.647 2.467 . . . . 0.0 109.717 -174.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.325 -0.709 0 C-N-CA 124.665 3.577 . . . . 0.0 111.884 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.477 0.876 0 CA-C-N 111.73 -2.486 . . . . 0.0 106.713 179.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.246 0 O-C-N 127.597 3.42 . . . . 0.0 107.934 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.537 0 C-N-CA 121.869 1.712 . . . . 0.0 108.31 178.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.428 -1.572 0 O-C-N 127.028 2.705 . . . . 0.0 112.16 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.998 0 C-N-CA 126.773 2.029 . . . . 0.0 114.923 -174.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.698 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 175.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 124.917 1.385 . . . . 0.0 113.671 -175.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.257 1.47 0 CA-C-O 117.395 -1.288 . . . . 0.0 112.738 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.328 0 CA-C-N 121.806 2.094 . . . . 0.0 114.926 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.449 0 C-N-CA 122.185 1.923 . . . . 0.0 113.292 178.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.292 -1.895 0 C-N-CA 129.783 3.233 . . . . 0.0 112.252 178.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.052 0 O-C-N 119.484 -2.01 . . . . 0.0 109.529 178.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.352 0 CA-C-O 115.599 -2.144 . . . . 0.0 109.234 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 127.399 2.937 . . . . 0.0 109.355 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.218 0 O-C-N 120.288 -1.508 . . . . 0.0 112.847 177.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-O 122.027 0.917 . . . . 0.0 113.36 178.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.255 0 C-N-CA 126.463 1.905 . . . . 0.0 109.25 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.788 0 O-C-N 125.107 1.504 . . . . 0.0 110.262 175.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.271 2.201 0 C-N-CA 127.062 2.145 . . . . 0.0 114.564 178.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.008 0 CA-C-O 117.096 -1.947 . . . . 0.0 112.392 178.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 118.119 0.96 . . . . 0.0 108.508 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 176.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.967 0 C-N-CA 123.943 0.897 . . . . 0.0 112.817 -179.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.256 1.447 0 N-CA-C 114.963 1.468 . . . . 0.0 114.963 -175.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.076 0 C-N-CA 125.024 1.33 . . . . 0.0 108.126 175.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 177.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.961 0 CA-C-N 114.329 -1.305 . . . . 0.0 110.109 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-O 115.987 -1.958 . . . . 0.0 112.302 178.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.561 0 N-CA-C 116.539 2.051 . . . . 0.0 116.539 -174.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.582 0 CA-C-O 122.765 1.269 . . . . 0.0 112.27 -178.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 122.387 2.058 . . . . 0.0 115.138 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 177.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.398 0 N-CA-C 115.2 1.556 . . . . 0.0 115.2 178.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.119 0 O-C-N 118.342 -2.723 . . . . 0.0 114.646 -179.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.255 1.346 0 N-CA-C 115.943 1.831 . . . . 0.0 115.943 179.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.051 0 CA-C-N 120.294 1.141 . . . . 0.0 114.876 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.261 1.025 . . . . 0.0 112.041 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 O-C-N 125.063 1.477 . . . . 0.0 111.462 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.3 0 N-CA-C 116.922 2.193 . . . . 0.0 116.922 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 127.67 2.388 . . . . 0.0 115.545 -178.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.246 0.869 0 N-CA-C 117.097 2.258 . . . . 0.0 117.097 -178.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.482 -1.98 0 CA-C-O 115.647 -2.751 . . . . 0.0 118.802 177.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.29 -2.007 0 CA-C-N 124.177 3.988 . . . . 0.0 111.313 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-O 115.636 -2.126 . . . . 0.0 106.268 177.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.511 0 O-C-N 125.509 1.756 . . . . 0.0 107.628 -178.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.468 0 O-C-N 125.796 1.935 . . . . 0.0 111.457 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-O 122.085 0.945 . . . . 0.0 110.705 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.073 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 2.0 0 O-C-N 126.063 2.102 . . . . 0.0 116.15 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.772 0 CA-C-O 117.973 -1.013 . . . . 0.0 112.613 -178.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 1.977 0 N-CA-C 107.84 -2.104 . . . . 0.0 107.84 -178.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 125.304 2.478 . . . . 0.0 112.703 -177.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.837 0 CA-C-N 110.884 -2.871 . . . . 0.0 110.412 179.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -0.986 0 O-C-N 126.456 2.348 . . . . 0.0 105.414 176.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.386 0 N-CA-C 117.79 2.515 . . . . 0.0 117.79 -176.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 178.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 103.793 -2.669 . . . . 0.0 103.793 177.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 CA-C-N 112.02 -2.355 . . . . 0.0 108.046 -179.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.254 1.379 0 N-CA-C 118.562 2.185 . . . . 0.0 118.562 -178.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.684 0 O-C-N 121.409 -1.053 . . . . 0.0 112.277 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.64 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -177.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 124.24 1.972 . . . . 0.0 110.056 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.247 0.922 0 CA-C-N 113.433 -1.712 . . . . 0.0 108.414 -178.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.463 0.451 0 CA-C-N 114.071 -1.422 . . . . 0.0 110.205 179.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 124.854 0.973 . . . . 0.0 110.023 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.986 0 CA-C-N 114.354 -1.294 . . . . 0.0 109.32 179.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.484 1.235 0 O-C-N 124.55 1.156 . . . . 0.0 110.207 178.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.842 0 N-CA-C 119.073 2.389 . . . . 0.0 119.073 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.822 0 O-C-N 120.872 -1.369 . . . . 0.0 109.102 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 178.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.891 0 O-C-N 125.695 1.872 . . . . 0.0 110.282 179.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.378 0.608 . . . . 0.0 111.878 -179.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 115.703 -2.094 . . . . 0.0 108.791 -177.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.895 0 O-C-N 127.302 2.876 . . . . 0.0 110.352 178.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 117.704 -1.141 . . . . 0.0 109.621 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 O-C-N 128.125 3.391 . . . . 0.0 112.811 -177.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.252 1.228 0 O-C-N 125.147 1.529 . . . . 0.0 111.778 -178.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 123.855 0.862 . . . . 0.0 110.186 178.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.965 0 N-CA-C 118.056 2.613 . . . . 0.0 118.056 175.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.064 0 C-N-CA 124.11 0.964 . . . . 0.0 109.078 177.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 127.406 2.941 . . . . 0.0 111.36 -177.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 130.06 3.344 . . . . 0.0 108.995 178.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.954 0 O-C-N 126.803 2.564 . . . . 0.0 113.785 -178.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 115.251 1.574 . . . . 0.0 115.251 -178.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 124.667 1.229 . . . . 0.0 109.99 178.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.303 -1.422 0 C-N-CA 123.999 0.92 . . . . 0.0 109.192 179.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.317 -0.842 0 C-N-CA 123.459 0.704 . . . . 0.0 112.734 -178.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-O 116.994 -1.479 . . . . 0.0 111.006 -177.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 CA-C-O 116.829 -1.557 . . . . 0.0 110.707 -176.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.18 0 CA-C-N 119.51 1.05 . . . . 0.0 112.874 -178.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 124.951 1.3 . . . . 0.0 111.659 -178.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 125.032 1.458 . . . . 0.0 108.274 -179.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 126.562 2.414 . . . . 0.0 111.646 -178.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.023 0 C-N-CA 120.178 -0.609 . . . . 0.0 110.486 177.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.728 0 N-CA-C 114.314 1.227 . . . . 0.0 114.314 -177.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.3 -1.549 0 C-N-CA 125.696 1.598 . . . . 0.0 111.293 177.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.466 0.691 0 O-C-N 121.341 -0.849 . . . . 0.0 114.213 -179.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.633 0 N-CA-C 113.28 0.845 . . . . 0.0 113.28 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.653 0 O-C-N 119.816 -1.803 . . . . 0.0 109.656 -179.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.442 -0.87 0 N-CA-C 116.363 1.986 . . . . 0.0 116.363 -177.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 125.222 1.576 . . . . 0.0 110.304 -176.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 112.535 -2.121 . . . . 0.0 108.253 176.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 N-CA-C 104.48 -2.415 . . . . 0.0 104.48 178.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 125.338 1.649 . . . . 0.0 108.322 -177.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.288 0 O-C-N 125.87 1.981 . . . . 0.0 110.92 -175.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.471 0 O-C-N 126.266 2.719 . . . . 0.0 115.029 -176.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.518 0 O-C-N 120.385 -1.447 . . . . 0.0 113.822 177.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.254 1.338 0 N-CA-C 115.59 1.7 . . . . 0.0 115.59 -176.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.263 1.807 0 CA-C-O 115.058 -2.401 . . . . 0.0 112.788 -178.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.616 0 CA-C-N 120.898 1.681 . . . . 0.0 114.866 -178.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.062 0 C-N-CA 127.006 2.123 . . . . 0.0 111.173 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 126.242 2.214 . . . . 0.0 110.425 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 125.397 1.479 . . . . 0.0 107.029 177.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.714 0 C-N-CA 126.561 1.944 . . . . 0.0 112.586 179.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.15 0 CA-C-N 113.192 -1.822 . . . . 0.0 111.417 -177.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.127 0 C-N-CA 123.827 0.851 . . . . 0.0 113.147 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 104.172 -2.529 . . . . 0.0 104.172 177.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 104.89 -2.263 . . . . 0.0 104.89 178.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 128.483 3.615 . . . . 0.0 117.009 -175.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.297 0 N-CA-C 105.286 -3.126 . . . . 0.0 105.286 177.051 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.273 2.33 0 O-C-N 128.476 3.104 . . . . 0.0 106.529 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.845 0 C-N-CA 118.921 -1.112 . . . . 0.0 112.709 -177.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.759 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 177.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.838 0 CA-C-O 122.462 1.125 . . . . 0.0 108.08 176.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.285 0 C-N-CA 121.491 1.46 . . . . 0.0 111.88 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 176.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 105.326 -2.101 . . . . 0.0 105.326 177.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 122.78 1.276 . . . . 0.0 110.063 -176.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.199 0 CA-C-N 112.676 -2.056 . . . . 0.0 112.767 179.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.232 0 CA-C-N 118.172 0.986 . . . . 0.0 110.708 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.951 0 O-C-N 123.54 1.284 . . . . 0.0 111.647 177.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 103.168 -2.901 . . . . 0.0 103.168 178.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.306 -1.306 0 O-C-N 126.873 2.608 . . . . 0.0 112.237 -178.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.713 0 N-CA-C 107.588 -1.736 . . . . 0.0 107.588 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.29 -1.989 0 O-C-N 128.084 3.365 . . . . 0.0 102.965 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.266 1.963 0 CA-C-O 116.028 -1.939 . . . . 0.0 108.803 -179.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.81 0 N-CA-C 104.056 -3.618 . . . . 0.0 104.056 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.259 1.56 0 CA-C-O 115.631 -2.128 . . . . 0.0 109.477 -178.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.732 0 N-CA-C 103.706 -2.702 . . . . 0.0 103.706 -179.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.498 -1.048 0 O-C-N 127.768 3.167 . . . . 0.0 113.539 -177.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 106.329 -1.73 . . . . 0.0 106.329 -178.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.955 0 O-C-N 126.278 2.236 . . . . 0.0 107.619 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.346 -2.267 . . . . 0.0 110.271 -177.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--N 1.302 -1.491 1 O-C-N 115.669 -4.394 . . . . 0.0 100.622 -167.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.283 0 CA-C-O 115.253 -2.061 . . . . 0.0 112.086 176.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.272 -2.797 0 CA-C-N 120.716 1.598 . . . . 0.0 109.566 177.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.276 2.451 0 CA-C-N 112.851 -1.977 . . . . 0.0 110.594 178.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.292 0 O-C-N 120.907 -1.121 . . . . 0.0 110.443 178.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.556 1.188 0 O-C-N 125.798 1.936 . . . . 0.0 110.248 -178.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.289 -2.056 0 O-C-N 127.067 2.729 . . . . 0.0 107.06 178.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.484 -1.571 0 CA-C-O 122.209 1.004 . . . . 0.0 112.904 177.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.89 0 O-C-N 117.516 -3.24 . . . . 0.0 114.556 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.815 0 O-C-N 125.617 1.823 . . . . 0.0 108.142 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.573 1 O-C-N 129.277 4.11 . . . . 0.0 109.794 179.179 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 120.026 -1.672 . . . . 0.0 111.874 179.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 125.097 1.359 . . . . 0.0 112.797 178.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.038 0 C-N-CA 127.986 2.708 . . . . 0.0 114.298 -178.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.287 0 C-N-CA 128.29 2.636 . . . . 0.0 111.474 -178.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 C-N-CA 117.565 -1.654 . . . . 0.0 107.431 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.092 0 CA-C-O 117.242 -1.361 . . . . 0.0 109.006 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.304 0 C-N-CA 122.837 2.358 . . . . 0.0 111.768 178.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 332' ' ' ASN . . . . . . . . . . . . . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 0.993 0 O-C-N 118.686 -2.509 . . . . 0.0 115.728 -177.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.03 0 C-N-CA 126.598 1.959 . . . . 0.0 110.933 176.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.926 0 C-N-CA 123.401 2.734 . . . . 0.0 115.484 178.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-N 121.304 1.865 . . . . 0.0 113.398 178.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 125.006 1.322 . . . . 0.0 107.996 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.836 0 C-N-CA 119.043 -1.063 . . . . 0.0 109.776 179.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.569 -0.707 . . . . 0.0 109.329 179.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-N 114.256 -1.338 . . . . 0.0 109.766 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 119.576 1.08 . . . . 0.0 111.95 -177.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-O 117.069 -1.443 . . . . 0.0 111.841 -178.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 -178.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.256 1.447 0 CA-C-N 114.596 -1.183 . . . . 0.0 109.202 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-O 124.888 2.28 . . . . 0.0 109.419 178.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.027 0 CA-C-N 112.762 -2.017 . . . . 0.0 111.328 178.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.756 0 CA-C-N 121.143 1.792 . . . . 0.0 112.706 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.253 1.243 0 CA-C-O 118.427 -0.797 . . . . 0.0 112.256 -176.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 O-C-N 124.122 0.889 . . . . 0.0 109.09 -179.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-O 115.288 -2.291 . . . . 0.0 110.932 -178.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.203 0 O-C-N 127.535 3.022 . . . . 0.0 111.025 179.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.786 0 C-N-CA 127.378 2.271 . . . . 0.0 113.745 -177.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 125.966 2.041 . . . . 0.0 112.157 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.367 0 CA-C-N 121.33 1.877 . . . . 0.0 114.815 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.576 0 C-N-CA 124.771 1.229 . . . . 0.0 111.371 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 178.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 107.267 -1.382 . . . . 0.0 107.267 178.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 O-C-N 124.843 1.34 . . . . 0.0 110.027 -178.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 113.65 -1.614 . . . . 0.0 111.075 178.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.302 -1.476 0 C-N-CA 127.112 2.165 . . . . 0.0 112.524 -178.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 113.686 -1.597 . . . . 0.0 111.958 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-O 116.764 -1.589 . . . . 0.0 111.698 -178.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 126.563 2.414 . . . . 0.0 107.534 178.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 126.46 1.904 . . . . 0.0 113.097 179.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.636 -179.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.195 0 O-C-N 124.408 1.068 . . . . 0.0 108.18 178.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 116.546 -1.692 . . . . 0.0 112.077 179.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.506 0 N-CA-C 115.929 1.826 . . . . 0.0 115.929 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 O-C-N 124.498 1.124 . . . . 0.0 111.108 -177.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.133 0 O-C-N 125.489 1.743 . . . . 0.0 111.363 -178.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.071 0 C-N-CA 127.234 2.214 . . . . 0.0 107.489 179.115 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 500' ' ' MXT . . . . . 0.456 ' O12' H222 ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 600' ' ' MXT . . . . . 0.751 ' O12' H232 ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.417 ' CA ' H122 ' A' ' 500' ' ' MXT . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 1.082 ' H ' ' C11' ' A' ' 500' ' ' MXT . 22.6 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.928 ' N ' ' O12' ' A' ' 500' ' ' MXT . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.506 2.34 0 O-C-N 125.664 1.852 . . . . 0.0 106.851 169.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.749 1 O-C-N 129.189 4.257 . . . . 0.0 107.965 -175.336 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.926 0 CA-C-N 120.999 1.727 . . . . 0.0 112.613 -178.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.502 2.154 0 CA-C-N 114.204 -1.362 . . . . 0.0 110.956 -175.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.185 0 C-N-CA 126.982 2.113 . . . . 0.0 110.239 -176.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.485 0 O-C-N 120.842 -1.161 . . . . 0.0 109.873 -179.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.58 0 N-CA-C 105.946 -1.872 . . . . 0.0 105.946 -177.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 127.129 2.768 . . . . 0.0 107.823 178.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.572 1.792 0 CA-C-O 115.442 -2.218 . . . . 0.0 106.394 178.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.533 1 O-C-N 130.681 4.988 . . . . 0.0 106.316 177.064 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.135 0 CA-C-O 113.758 -3.02 . . . . 0.0 105.863 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.432 0 CA-C-N 121.14 1.791 . . . . 0.0 110.041 -177.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.294 -1.805 0 O-C-N 125.937 2.023 . . . . 0.0 105.807 -176.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.343 0 O-C-N 127.521 3.013 . . . . 0.0 112.748 -176.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.96 0 O-C-N 127.247 2.842 . . . . 0.0 112.286 177.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.925 0 O-C-N 119.094 -2.254 . . . . 0.0 111.896 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--O 1.225 -0.209 0 O-C-N 126.662 2.477 . . . . 0.0 109.684 -174.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.325 -0.702 0 C-N-CA 124.598 3.532 . . . . 0.0 111.995 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.844 0 CA-C-N 111.715 -2.493 . . . . 0.0 106.768 179.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.315 -1.215 0 O-C-N 127.476 3.356 . . . . 0.0 107.91 179.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.541 0 O-C-N 124.332 1.701 . . . . 0.0 108.347 178.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.612 0 O-C-N 127.032 2.708 . . . . 0.0 112.149 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.289 -2.022 0 C-N-CA 126.735 2.014 . . . . 0.0 114.913 -174.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.711 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 175.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 124.913 1.383 . . . . 0.0 113.615 -175.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.257 1.468 0 CA-C-O 117.394 -1.289 . . . . 0.0 112.761 -179.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.29 0 CA-C-N 121.772 2.078 . . . . 0.0 114.898 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.484 0 C-N-CA 122.203 1.935 . . . . 0.0 113.298 178.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.904 0 C-N-CA 129.796 3.238 . . . . 0.0 112.252 178.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.055 0 O-C-N 119.417 -2.052 . . . . 0.0 109.525 178.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.341 0 CA-C-O 115.63 -2.129 . . . . 0.0 109.255 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 127.4 2.937 . . . . 0.0 109.388 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.253 1.239 0 O-C-N 120.301 -1.499 . . . . 0.0 112.913 177.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-O 122.033 0.92 . . . . 0.0 113.343 179.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.269 0 C-N-CA 126.469 1.908 . . . . 0.0 109.295 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 125.128 1.517 . . . . 0.0 110.246 175.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.158 0 C-N-CA 127.072 2.149 . . . . 0.0 114.552 178.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 1.998 0 CA-C-O 117.097 -1.946 . . . . 0.0 112.35 178.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 118.129 0.964 . . . . 0.0 108.465 179.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 176.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.935 0 C-N-CA 123.951 0.9 . . . . 0.0 112.872 -179.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.466 0 N-CA-C 115.022 1.49 . . . . 0.0 115.022 -175.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.31 -1.139 0 C-N-CA 124.982 1.313 . . . . 0.0 108.07 175.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 177.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.955 0 CA-C-N 114.291 -1.322 . . . . 0.0 110.107 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-O 116.008 -1.949 . . . . 0.0 112.315 178.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.278 -2.527 0 N-CA-C 116.565 2.061 . . . . 0.0 116.565 -174.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.593 0 CA-C-O 122.794 1.283 . . . . 0.0 112.292 -178.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.448 -1.206 0 C-N-CA 122.389 2.06 . . . . 0.0 115.092 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.686 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 177.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.434 0 N-CA-C 115.162 1.542 . . . . 0.0 115.162 178.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.107 0 O-C-N 118.314 -2.741 . . . . 0.0 114.627 -179.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.302 0 N-CA-C 115.919 1.822 . . . . 0.0 115.919 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.045 0 CA-C-N 120.285 1.138 . . . . 0.0 114.861 -179.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.268 1.027 . . . . 0.0 112.036 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 O-C-N 125.103 1.502 . . . . 0.0 111.475 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.255 1.372 0 N-CA-C 116.911 2.189 . . . . 0.0 116.911 179.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 127.634 2.374 . . . . 0.0 115.558 -178.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.836 0 N-CA-C 117.143 2.275 . . . . 0.0 117.143 -178.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.063 0 CA-C-O 115.684 -2.731 . . . . 0.0 118.833 177.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.941 1 CA-C-N 124.202 4.001 . . . . 0.0 111.375 179.736 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.483 1.201 0 CA-C-O 115.686 -2.102 . . . . 0.0 106.233 177.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.508 0 O-C-N 125.418 1.699 . . . . 0.0 107.621 -178.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.491 0 O-C-N 125.762 1.914 . . . . 0.0 111.512 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-O 122.118 0.961 . . . . 0.0 110.721 179.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.25 1.102 0 N-CA-C 106.754 -1.573 . . . . 0.0 106.754 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.266 1.95 0 O-C-N 126.057 2.098 . . . . 0.0 116.208 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.797 0 CA-C-O 117.929 -1.034 . . . . 0.0 112.579 -178.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 1.983 0 N-CA-C 107.817 -2.113 . . . . 0.0 107.817 -178.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 125.324 2.488 . . . . 0.0 112.67 -177.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.837 0 CA-C-N 110.876 -2.875 . . . . 0.0 110.444 179.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -1.01 0 O-C-N 126.39 2.306 . . . . 0.0 105.462 176.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.401 0 N-CA-C 117.765 2.506 . . . . 0.0 117.765 -176.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 178.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 103.772 -2.677 . . . . 0.0 103.772 177.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 CA-C-N 111.966 -2.379 . . . . 0.0 107.994 -179.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.298 0 N-CA-C 118.546 2.178 . . . . 0.0 118.546 -178.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.671 0 O-C-N 121.493 -1.004 . . . . 0.0 112.226 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.606 0 O-C-N 123.682 0.614 . . . . 0.0 112.624 -177.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.834 0 CA-C-O 124.233 1.968 . . . . 0.0 110.068 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.895 0 CA-C-N 113.456 -1.702 . . . . 0.0 108.358 -178.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 C--N 1.318 -0.459 0 CA-C-N 114.03 -1.441 . . . . 0.0 110.135 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 124.83 0.959 . . . . 0.0 109.978 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.994 0 CA-C-N 114.364 -1.289 . . . . 0.0 109.324 179.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.484 1.246 0 O-C-N 124.551 1.157 . . . . 0.0 110.22 178.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.839 0 N-CA-C 119.057 2.383 . . . . 0.0 119.057 -179.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.214 -0.811 0 O-C-N 120.842 -1.387 . . . . 0.0 109.107 179.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.307 -1.278 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 178.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.894 0 O-C-N 125.672 1.857 . . . . 0.0 110.282 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.346 0.593 . . . . 0.0 111.875 -179.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 115.728 -2.082 . . . . 0.0 108.81 -177.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.293 -1.885 0 O-C-N 127.248 2.843 . . . . 0.0 110.362 178.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 117.645 -1.169 . . . . 0.0 109.575 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 O-C-N 128.125 3.391 . . . . 0.0 112.817 -177.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.274 0 O-C-N 125.113 1.508 . . . . 0.0 111.737 -178.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 123.903 0.881 . . . . 0.0 110.179 178.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.967 0 N-CA-C 118.039 2.607 . . . . 0.0 118.039 175.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.054 0 C-N-CA 124.119 0.968 . . . . 0.0 109.091 177.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 127.407 2.942 . . . . 0.0 111.371 -177.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.391 0 C-N-CA 130.005 3.322 . . . . 0.0 109.015 178.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.925 0 O-C-N 126.713 2.508 . . . . 0.0 113.78 -178.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 115.276 1.584 . . . . 0.0 115.276 -178.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 124.744 1.278 . . . . 0.0 109.96 178.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.386 0 C-N-CA 123.998 0.919 . . . . 0.0 109.163 179.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.315 -0.907 0 C-N-CA 123.47 0.708 . . . . 0.0 112.7 -178.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-O 116.984 -1.484 . . . . 0.0 110.973 -177.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.673 0 CA-C-O 116.731 -1.604 . . . . 0.0 110.658 -176.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.149 0 CA-C-N 119.543 1.065 . . . . 0.0 112.816 -178.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.431 -1.39 0 C-N-CA 124.956 1.302 . . . . 0.0 111.672 -178.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 124.992 1.433 . . . . 0.0 108.265 -179.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 126.575 2.422 . . . . 0.0 111.581 -178.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.014 0 C-N-CA 120.167 -0.613 . . . . 0.0 110.531 177.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 -177.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 125.661 1.584 . . . . 0.0 111.256 177.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.466 0.664 0 O-C-N 121.321 -0.862 . . . . 0.0 114.23 -179.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.508 -0.643 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 179.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 119.764 -1.835 . . . . 0.0 109.647 -179.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 116.396 1.999 . . . . 0.0 116.396 -176.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 125.217 1.573 . . . . 0.0 110.296 -176.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 112.517 -2.129 . . . . 0.0 108.3 176.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 N-CA-C 104.567 -2.383 . . . . 0.0 104.567 178.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 125.336 1.647 . . . . 0.0 108.281 -177.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.302 -1.306 0 O-C-N 125.926 2.016 . . . . 0.0 110.969 -175.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.474 0 O-C-N 126.252 2.711 . . . . 0.0 115.055 -176.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 120.442 -1.411 . . . . 0.0 113.842 177.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.256 1.41 0 N-CA-C 115.576 1.695 . . . . 0.0 115.576 -176.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.263 1.791 0 CA-C-O 115.084 -2.388 . . . . 0.0 112.761 -178.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.632 0 CA-C-N 120.915 1.689 . . . . 0.0 114.827 -178.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.063 0 C-N-CA 127.001 2.12 . . . . 0.0 111.208 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 O-C-N 126.203 2.19 . . . . 0.0 110.478 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 177.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.744 0 C-N-CA 126.612 1.965 . . . . 0.0 112.62 178.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.149 0 CA-C-N 113.171 -1.831 . . . . 0.0 111.447 -177.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.135 0 C-N-CA 123.813 0.845 . . . . 0.0 113.171 -179.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 104.206 -2.516 . . . . 0.0 104.206 177.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 104.832 -2.284 . . . . 0.0 104.832 178.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 128.508 3.63 . . . . 0.0 116.954 -175.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.34 0 N-CA-C 105.301 -3.119 . . . . 0.0 105.301 177.085 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.362 0 O-C-N 128.488 3.111 . . . . 0.0 106.498 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.829 0 C-N-CA 118.978 -1.089 . . . . 0.0 112.728 -177.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.746 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 177.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.834 0 CA-C-O 122.409 1.1 . . . . 0.0 108.155 176.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.313 0 C-N-CA 121.463 1.442 . . . . 0.0 111.903 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 177.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 105.369 -2.086 . . . . 0.0 105.369 177.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 122.813 1.292 . . . . 0.0 110.118 -176.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.25 1.122 0 CA-C-N 112.671 -2.059 . . . . 0.0 112.78 -179.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.216 0 CA-C-N 118.159 0.979 . . . . 0.0 110.723 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.453 -0.895 0 O-C-N 123.539 1.284 . . . . 0.0 111.644 177.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 103.193 -2.892 . . . . 0.0 103.193 177.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.357 0 O-C-N 126.874 2.609 . . . . 0.0 112.254 -177.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.69 0 N-CA-C 107.585 -1.736 . . . . 0.0 107.585 176.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.94 0 O-C-N 128.109 3.38 . . . . 0.0 102.99 -178.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.266 1.947 0 CA-C-O 116.024 -1.941 . . . . 0.0 108.802 178.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.839 0 N-CA-C 104.081 -3.608 . . . . 0.0 104.081 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.521 0 CA-C-O 115.672 -2.109 . . . . 0.0 109.481 -172.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.737 0 N-CA-C 103.682 -2.71 . . . . 0.0 103.682 178.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.087 0 O-C-N 127.755 3.159 . . . . 0.0 113.517 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 106.324 -1.732 . . . . 0.0 106.324 -178.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.92 0 O-C-N 126.246 2.216 . . . . 0.0 107.643 -179.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.53 -2.159 . . . . 0.0 110.271 -178.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.3 0 N-CA-C 100.587 -3.857 . . . . 0.0 100.587 -177.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.305 0 CA-C-O 115.201 -2.083 . . . . 0.0 112.113 178.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.825 0 CA-C-N 120.68 1.582 . . . . 0.0 109.553 177.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.397 0 CA-C-N 112.813 -1.994 . . . . 0.0 110.642 178.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.295 0 O-C-N 120.949 -1.094 . . . . 0.0 110.403 178.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.158 0 O-C-N 125.817 1.948 . . . . 0.0 110.278 -178.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.289 -2.061 0 O-C-N 127.012 2.695 . . . . 0.0 107.033 178.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.605 0 CA-C-O 122.246 1.022 . . . . 0.0 112.942 177.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.442 -0.857 0 O-C-N 117.444 -3.285 . . . . 0.0 114.565 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.573 1.831 0 O-C-N 125.624 1.827 . . . . 0.0 108.094 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.299 -1.595 1 O-C-N 129.279 4.112 . . . . 0.0 109.763 179.184 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 120.051 -1.656 . . . . 0.0 111.835 179.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 125.12 1.368 . . . . 0.0 112.748 178.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.29 -2.006 0 C-N-CA 127.977 2.703 . . . . 0.0 114.329 -177.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.281 0 C-N-CA 128.268 2.627 . . . . 0.0 111.491 -178.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 C-N-CA 117.537 -1.665 . . . . 0.0 107.402 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.287 -2.118 0 CA-C-O 117.311 -1.328 . . . . 0.0 108.98 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.298 0 C-N-CA 122.904 2.402 . . . . 0.0 111.76 178.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 332' ' ' ASN . . . . . . . . . . . . . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 0.997 0 O-C-N 118.625 -2.547 . . . . 0.0 115.68 -178.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.056 0 C-N-CA 126.632 1.973 . . . . 0.0 110.936 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.941 0 C-N-CA 123.404 2.736 . . . . 0.0 115.519 179.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-N 121.294 1.861 . . . . 0.0 113.414 178.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 124.941 1.297 . . . . 0.0 108.073 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.86 0 C-N-CA 118.991 -1.083 . . . . 0.0 109.769 179.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.531 -0.731 . . . . 0.0 109.281 179.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 C--O 1.244 0.773 0 CA-C-N 114.281 -1.327 . . . . 0.0 109.726 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 119.625 1.102 . . . . 0.0 111.945 -177.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 117.067 -1.445 . . . . 0.0 111.829 -177.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 115.032 1.493 . . . . 0.0 115.032 -178.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.457 0 CA-C-N 114.587 -1.188 . . . . 0.0 109.17 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-O 124.876 2.274 . . . . 0.0 109.435 178.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.044 0 CA-C-N 112.705 -2.043 . . . . 0.0 111.325 178.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-N 121.088 1.767 . . . . 0.0 112.745 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.253 1.258 0 CA-C-O 118.455 -0.783 . . . . 0.0 112.268 -176.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 O-C-N 124.108 0.88 . . . . 0.0 109.124 -179.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-O 115.209 -2.329 . . . . 0.0 110.894 -178.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.215 0 O-C-N 127.562 3.039 . . . . 0.0 111.082 178.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.296 -1.748 0 C-N-CA 127.409 2.284 . . . . 0.0 113.769 -177.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 126.005 2.066 . . . . 0.0 112.176 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.39 0 CA-C-N 121.318 1.872 . . . . 0.0 114.781 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.557 0 C-N-CA 124.827 1.251 . . . . 0.0 111.408 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 178.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.307 -1.264 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 178.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 O-C-N 124.805 1.316 . . . . 0.0 110.04 -178.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 113.643 -1.617 . . . . 0.0 111.02 178.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.509 0 C-N-CA 127.129 2.172 . . . . 0.0 112.557 -178.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 113.683 -1.599 . . . . 0.0 111.988 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.685 0 CA-C-O 116.755 -1.593 . . . . 0.0 111.667 -178.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 126.52 2.387 . . . . 0.0 107.552 178.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.035 0 C-N-CA 126.369 1.868 . . . . 0.0 113.17 179.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.613 -179.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.184 0 O-C-N 124.459 1.1 . . . . 0.0 108.214 178.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-O 116.611 -1.662 . . . . 0.0 112.1 179.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.257 1.488 0 N-CA-C 115.905 1.817 . . . . 0.0 115.905 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 O-C-N 124.53 1.144 . . . . 0.0 111.175 -177.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.112 0 O-C-N 125.481 1.738 . . . . 0.0 111.374 -178.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.084 0 C-N-CA 127.318 2.247 . . . . 0.0 107.411 179.125 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 500' ' ' MXT . . . . . 1.082 ' C11' ' H ' ' A' ' 41' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 600' ' ' MXT . . . . . 0.828 H232 ' O11' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.432 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 1.7 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.506 2.328 0 O-C-N 125.664 1.852 . . . . 0.0 106.849 167.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.711 1 O-C-N 129.185 4.255 . . . . 0.0 107.992 -172.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.937 0 CA-C-N 121.023 1.738 . . . . 0.0 112.608 -178.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.178 0 CA-C-N 114.277 -1.329 . . . . 0.0 110.915 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.206 0 C-N-CA 126.962 2.105 . . . . 0.0 110.239 -176.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.457 0 O-C-N 120.935 -1.103 . . . . 0.0 109.876 -172.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.559 0 N-CA-C 105.897 -1.89 . . . . 0.0 105.897 -177.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 127.154 2.784 . . . . 0.0 107.828 179.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.57 1.749 0 CA-C-O 115.425 -2.226 . . . . 0.0 106.468 -178.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.511 2.586 1 O-C-N 130.687 4.992 . . . . 0.0 106.327 173.071 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.138 0 CA-C-O 113.728 -3.034 . . . . 0.0 105.899 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-N 121.155 1.798 . . . . 0.0 110.048 -177.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 125.86 1.975 . . . . 0.0 105.765 -176.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.377 0 O-C-N 127.557 3.036 . . . . 0.0 112.74 -176.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.948 0 O-C-N 127.205 2.815 . . . . 0.0 112.231 177.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 122.175 2.261 . . . . 0.0 111.921 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--O 1.225 -0.221 0 O-C-N 126.636 2.46 . . . . 0.0 109.691 -174.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.722 0 C-N-CA 124.668 3.578 . . . . 0.0 111.963 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.845 0 CA-C-N 111.715 -2.493 . . . . 0.0 106.751 179.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.315 -1.233 0 O-C-N 127.504 3.37 . . . . 0.0 107.915 178.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.506 0 C-N-CA 121.861 1.707 . . . . 0.0 108.354 178.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.428 -1.559 0 O-C-N 127.104 2.752 . . . . 0.0 112.133 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -2.008 0 C-N-CA 126.746 2.018 . . . . 0.0 114.929 -174.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.57 1.728 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 175.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 124.93 1.394 . . . . 0.0 113.602 -175.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.41 0 CA-C-O 117.427 -1.273 . . . . 0.0 112.785 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.315 0 CA-C-N 121.716 2.053 . . . . 0.0 114.928 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.311 -1.442 0 C-N-CA 122.192 1.928 . . . . 0.0 113.302 178.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.293 -1.879 0 C-N-CA 129.821 3.248 . . . . 0.0 112.251 178.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.064 0 O-C-N 119.421 -2.049 . . . . 0.0 109.516 178.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.339 0 CA-C-O 115.601 -2.142 . . . . 0.0 109.204 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 127.364 2.915 . . . . 0.0 109.396 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.23 0 O-C-N 120.275 -1.516 . . . . 0.0 112.915 177.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 122.004 0.907 . . . . 0.0 113.336 179.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.27 0 C-N-CA 126.466 1.906 . . . . 0.0 109.313 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.296 -1.758 0 O-C-N 125.122 1.514 . . . . 0.0 110.256 175.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.133 0 C-N-CA 127.052 2.141 . . . . 0.0 114.576 178.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.004 0 CA-C-O 117.127 -1.929 . . . . 0.0 112.397 178.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 118.106 0.953 . . . . 0.0 108.487 179.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 176.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.959 0 C-N-CA 123.885 0.874 . . . . 0.0 112.875 -179.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.474 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 -175.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.31 -1.118 0 C-N-CA 125.025 1.33 . . . . 0.0 108.079 175.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 177.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.96 0 CA-C-N 114.334 -1.303 . . . . 0.0 110.06 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-O 116.03 -1.938 . . . . 0.0 112.33 178.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.556 0 N-CA-C 116.562 2.06 . . . . 0.0 116.562 -174.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.595 0 CA-C-O 122.71 1.243 . . . . 0.0 112.322 -178.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 122.388 2.058 . . . . 0.0 115.098 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 177.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.427 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 178.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.115 0 O-C-N 118.318 -2.739 . . . . 0.0 114.615 -179.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.337 0 N-CA-C 115.944 1.831 . . . . 0.0 115.944 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.042 0 CA-C-N 120.321 1.151 . . . . 0.0 114.859 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.295 1.038 . . . . 0.0 112.019 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 O-C-N 125.096 1.498 . . . . 0.0 111.501 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.255 1.348 0 N-CA-C 116.9 2.185 . . . . 0.0 116.9 179.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 127.639 2.376 . . . . 0.0 115.552 -178.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.866 0 N-CA-C 117.129 2.27 . . . . 0.0 117.129 -178.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.081 0 CA-C-O 115.723 -2.71 . . . . 0.0 118.905 177.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.951 0 CA-C-N 124.182 3.991 . . . . 0.0 111.363 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-O 115.632 -2.128 . . . . 0.0 106.266 177.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.302 -1.489 0 O-C-N 125.524 1.765 . . . . 0.0 107.68 -178.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.478 0 O-C-N 125.764 1.915 . . . . 0.0 111.491 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-O 122.051 0.929 . . . . 0.0 110.75 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.051 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.266 1.965 0 O-C-N 126.053 2.096 . . . . 0.0 116.2 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.773 0 CA-C-O 117.976 -1.011 . . . . 0.0 112.605 -178.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 1.968 0 N-CA-C 107.825 -2.11 . . . . 0.0 107.825 -178.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 125.303 2.477 . . . . 0.0 112.694 -177.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.86 0 CA-C-N 110.93 -2.85 . . . . 0.0 110.44 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.314 -0.975 0 O-C-N 126.372 2.295 . . . . 0.0 105.43 176.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.386 0 N-CA-C 117.838 2.533 . . . . 0.0 117.838 -176.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 178.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 103.815 -2.661 . . . . 0.0 103.815 177.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 CA-C-N 112.011 -2.359 . . . . 0.0 108.025 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.317 0 N-CA-C 118.547 2.179 . . . . 0.0 118.547 -178.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.704 0 O-C-N 121.483 -1.01 . . . . 0.0 112.285 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.661 0 N-CA-C 112.613 0.597 . . . . 0.0 112.613 -177.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.857 0 CA-C-O 124.228 1.966 . . . . 0.0 110.066 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.894 0 CA-C-N 113.439 -1.71 . . . . 0.0 108.394 -178.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 C--N 1.317 -0.477 0 CA-C-N 114.055 -1.43 . . . . 0.0 110.161 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 124.828 0.958 . . . . 0.0 110.048 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.998 0 CA-C-N 114.337 -1.301 . . . . 0.0 109.376 179.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.484 1.232 0 O-C-N 124.49 1.119 . . . . 0.0 110.155 178.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.837 0 N-CA-C 119.021 2.368 . . . . 0.0 119.021 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.832 0 O-C-N 120.898 -1.354 . . . . 0.0 109.077 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 107.082 -1.451 . . . . 0.0 107.082 178.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.916 0 O-C-N 125.637 1.836 . . . . 0.0 110.233 179.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.301 0.572 . . . . 0.0 111.894 -179.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 115.729 -2.081 . . . . 0.0 108.858 -177.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.903 0 O-C-N 127.266 2.854 . . . . 0.0 110.378 178.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 117.659 -1.162 . . . . 0.0 109.564 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 O-C-N 128.134 3.396 . . . . 0.0 112.792 -177.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.259 0 O-C-N 125.147 1.529 . . . . 0.0 111.756 -178.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 123.89 0.876 . . . . 0.0 110.202 178.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.968 0 N-CA-C 118.026 2.602 . . . . 0.0 118.026 175.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.062 0 C-N-CA 124.107 0.963 . . . . 0.0 109.065 177.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 127.431 2.957 . . . . 0.0 111.409 -177.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.383 0 C-N-CA 129.998 3.319 . . . . 0.0 108.966 178.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.246 0.913 0 O-C-N 126.779 2.55 . . . . 0.0 113.782 -178.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 115.297 1.591 . . . . 0.0 115.297 -178.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 124.733 1.271 . . . . 0.0 109.944 178.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.385 0 C-N-CA 124.026 0.93 . . . . 0.0 109.179 179.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.883 0 C-N-CA 123.472 0.709 . . . . 0.0 112.671 -178.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-O 116.986 -1.483 . . . . 0.0 110.984 -177.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 CA-C-O 116.789 -1.577 . . . . 0.0 110.675 -176.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.183 0 CA-C-N 119.563 1.074 . . . . 0.0 112.851 -178.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 124.974 1.309 . . . . 0.0 111.684 -178.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 125.017 1.448 . . . . 0.0 108.265 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 126.542 2.401 . . . . 0.0 111.586 -178.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.009 0 C-N-CA 120.188 -0.605 . . . . 0.0 110.511 177.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 114.352 1.241 . . . . 0.0 114.352 -177.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 125.634 1.574 . . . . 0.0 111.225 177.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.465 0.618 0 O-C-N 121.291 -0.881 . . . . 0.0 114.298 -179.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.616 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 179.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 119.822 -1.799 . . . . 0.0 109.668 -179.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.882 0 N-CA-C 116.372 1.99 . . . . 0.0 116.372 -176.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 125.31 1.631 . . . . 0.0 110.315 -176.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 112.556 -2.111 . . . . 0.0 108.292 176.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 N-CA-C 104.473 -2.418 . . . . 0.0 104.473 178.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 125.413 1.696 . . . . 0.0 108.33 -177.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.283 0 O-C-N 125.926 2.016 . . . . 0.0 110.995 -175.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.446 0 O-C-N 126.313 2.744 . . . . 0.0 115.044 -176.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.257 1.491 0 O-C-N 120.395 -1.44 . . . . 0.0 113.796 177.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.256 1.395 0 N-CA-C 115.592 1.701 . . . . 0.0 115.592 -176.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.264 1.827 0 CA-C-O 115.075 -2.393 . . . . 0.0 112.762 -178.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.638 0 CA-C-N 120.893 1.679 . . . . 0.0 114.833 -178.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.03 0 C-N-CA 127.038 2.135 . . . . 0.0 111.195 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 O-C-N 126.178 2.174 . . . . 0.0 110.457 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 125.363 1.465 . . . . 0.0 107.097 177.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.747 0 C-N-CA 126.559 1.944 . . . . 0.0 112.583 179.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.25 1.128 0 CA-C-N 113.204 -1.817 . . . . 0.0 111.468 -177.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.137 0 C-N-CA 123.789 0.835 . . . . 0.0 113.143 -179.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 104.119 -2.549 . . . . 0.0 104.119 177.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 104.839 -2.282 . . . . 0.0 104.839 178.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 128.51 3.631 . . . . 0.0 116.999 -175.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.584 4.376 0 N-CA-C 105.297 -3.121 . . . . 0.0 105.297 177.075 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.347 0 O-C-N 128.556 3.15 . . . . 0.0 106.499 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.829 0 C-N-CA 118.918 -1.113 . . . . 0.0 112.643 -177.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 177.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.828 0 CA-C-O 122.467 1.127 . . . . 0.0 108.083 176.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.298 0 C-N-CA 121.484 1.456 . . . . 0.0 111.92 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 177.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 105.349 -2.093 . . . . 0.0 105.349 177.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 122.803 1.287 . . . . 0.0 110.074 -176.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.185 0 CA-C-N 112.687 -2.051 . . . . 0.0 112.76 177.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.307 -1.244 0 CA-C-N 118.183 0.991 . . . . 0.0 110.769 179.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.451 -0.983 0 O-C-N 123.472 1.248 . . . . 0.0 111.654 177.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 103.153 -2.906 . . . . 0.0 103.153 179.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.306 -1.315 0 O-C-N 126.868 2.605 . . . . 0.0 112.199 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.702 0 N-CA-C 107.585 -1.737 . . . . 0.0 107.585 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.96 0 O-C-N 128.106 3.379 . . . . 0.0 102.971 178.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.99 0 CA-C-O 115.963 -1.97 . . . . 0.0 108.834 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.839 0 N-CA-C 104.079 -3.609 . . . . 0.0 104.079 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.506 0 CA-C-O 115.66 -2.114 . . . . 0.0 109.504 179.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.74 0 N-CA-C 103.666 -2.716 . . . . 0.0 103.666 -175.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.063 0 O-C-N 127.731 3.144 . . . . 0.0 113.515 -178.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 106.341 -1.725 . . . . 0.0 106.341 -178.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.927 0 O-C-N 126.298 2.248 . . . . 0.0 107.617 -178.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 120.652 -1.499 . . . . 0.0 110.271 179.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--N 1.303 -1.417 0 N-CA-C 100.626 -3.842 . . . . 0.0 100.626 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.305 0 CA-C-O 115.236 -2.068 . . . . 0.0 112.082 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.272 -2.777 0 CA-C-N 120.702 1.592 . . . . 0.0 109.535 177.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.276 2.464 0 CA-C-N 112.853 -1.976 . . . . 0.0 110.594 178.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.434 -1.273 0 O-C-N 120.956 -1.09 . . . . 0.0 110.406 178.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.163 0 O-C-N 125.796 1.935 . . . . 0.0 110.277 -178.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.289 -2.047 0 O-C-N 127.06 2.725 . . . . 0.0 107.049 178.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.484 -1.575 0 CA-C-O 122.18 0.99 . . . . 0.0 112.909 177.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.891 0 O-C-N 117.504 -3.248 . . . . 0.0 114.575 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.8 0 O-C-N 125.547 1.779 . . . . 0.0 108.169 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.299 -1.628 1 O-C-N 129.276 4.11 . . . . 0.0 109.748 179.165 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 120.037 -1.664 . . . . 0.0 111.853 179.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.513 0 C-N-CA 125.119 1.368 . . . . 0.0 112.802 178.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.073 0 C-N-CA 127.997 2.713 . . . . 0.0 114.336 -178.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.258 0 C-N-CA 128.257 2.623 . . . . 0.0 111.501 -179.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 C-N-CA 117.577 -1.649 . . . . 0.0 107.418 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.096 0 CA-C-O 117.261 -1.352 . . . . 0.0 109.013 -178.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.297 0 C-N-CA 122.875 2.383 . . . . 0.0 111.769 179.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 332' ' ' ASN . . . . . . . . . . . . . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.012 0 O-C-N 118.635 -2.541 . . . . 0.0 115.671 -178.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.065 0 C-N-CA 126.624 1.97 . . . . 0.0 110.892 174.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.506 -0.878 0 C-N-CA 123.452 2.768 . . . . 0.0 115.48 -176.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-N 121.276 1.853 . . . . 0.0 113.5 177.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 124.958 1.303 . . . . 0.0 108.04 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.832 0 C-N-CA 119.042 -1.063 . . . . 0.0 109.783 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.584 -0.697 . . . . 0.0 109.249 179.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 114.263 -1.335 . . . . 0.0 109.758 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-N 119.56 1.073 . . . . 0.0 111.944 -177.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-O 117.151 -1.404 . . . . 0.0 111.909 -178.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.256 1.444 0 CA-C-N 114.583 -1.19 . . . . 0.0 109.129 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-O 124.86 2.267 . . . . 0.0 109.43 178.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.041 0 CA-C-N 112.768 -2.015 . . . . 0.0 111.304 178.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.73 0 CA-C-N 121.147 1.794 . . . . 0.0 112.721 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.322 0 CA-C-O 118.478 -0.772 . . . . 0.0 112.268 -176.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 O-C-N 124.053 0.846 . . . . 0.0 109.091 -179.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-O 115.247 -2.311 . . . . 0.0 110.857 -178.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.309 -1.193 0 O-C-N 127.583 3.052 . . . . 0.0 111.032 179.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.792 0 C-N-CA 127.419 2.287 . . . . 0.0 113.727 -177.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 125.956 2.035 . . . . 0.0 112.188 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.255 1.41 0 CA-C-N 121.291 1.859 . . . . 0.0 114.809 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.578 0 C-N-CA 124.797 1.239 . . . . 0.0 111.4 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 178.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.307 -1.253 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 178.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 O-C-N 124.798 1.311 . . . . 0.0 110.058 -178.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-N 113.653 -1.612 . . . . 0.0 111.057 178.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 127.105 2.162 . . . . 0.0 112.496 -178.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 113.718 -1.583 . . . . 0.0 111.961 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 116.749 -1.596 . . . . 0.0 111.703 -178.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 126.535 2.397 . . . . 0.0 107.575 178.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.052 0 C-N-CA 126.429 1.892 . . . . 0.0 113.12 179.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.129 -0.942 . . . . 0.0 109.619 -179.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.174 0 O-C-N 124.464 1.103 . . . . 0.0 108.181 178.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-O 116.57 -1.681 . . . . 0.0 112.088 179.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.526 0 N-CA-C 115.916 1.821 . . . . 0.0 115.916 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.688 0 O-C-N 124.459 1.099 . . . . 0.0 111.147 -177.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.309 -1.158 0 O-C-N 125.515 1.759 . . . . 0.0 111.349 -178.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.074 0 C-N-CA 127.296 2.239 . . . . 0.0 107.431 179.119 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 500' ' ' MXT . . . . . 0.862 ' O11' H232 ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 600' ' ' MXT . . . . . 0.885 H232 ' O11' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.705 ' O ' ' O11' ' A' ' 500' ' ' MXT . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.681 ' C ' ' C12' ' A' ' 500' ' ' MXT . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 1.311 ' N ' H121 ' A' ' 500' ' ' MXT . 1.3 m -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.93 ' H ' H122 ' A' ' 500' ' ' MXT . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.312 0 O-C-N 125.664 1.852 . . . . 0.0 106.842 166.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.754 1 O-C-N 129.18 4.253 . . . . 0.0 107.992 -174.254 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.91 0 CA-C-N 121.007 1.73 . . . . 0.0 112.597 -178.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.197 0 CA-C-N 114.228 -1.351 . . . . 0.0 110.898 -176.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.166 0 C-N-CA 126.956 2.103 . . . . 0.0 110.242 -177.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.453 0 O-C-N 120.857 -1.152 . . . . 0.0 109.807 177.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.26 1.609 0 N-CA-C 105.978 -1.86 . . . . 0.0 105.978 -176.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 127.141 2.776 . . . . 0.0 107.812 178.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.769 0 CA-C-O 115.449 -2.215 . . . . 0.0 106.413 178.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.544 1 O-C-N 130.689 4.993 . . . . 0.0 106.324 177.264 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.133 0 CA-C-O 113.7 -3.048 . . . . 0.0 105.883 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.46 0 CA-C-N 121.168 1.804 . . . . 0.0 110.041 -177.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.799 0 O-C-N 125.877 1.986 . . . . 0.0 105.79 -176.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.375 0 O-C-N 127.542 3.026 . . . . 0.0 112.724 -176.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.951 0 O-C-N 127.153 2.783 . . . . 0.0 112.263 177.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.314 -0.945 0 O-C-N 119.097 -2.252 . . . . 0.0 111.925 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.331 -0.198 0 O-C-N 126.625 2.453 . . . . 0.0 109.717 -174.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.325 -0.699 0 C-N-CA 124.664 3.576 . . . . 0.0 111.908 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.833 0 CA-C-N 111.747 -2.479 . . . . 0.0 106.786 179.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.273 0 O-C-N 127.52 3.379 . . . . 0.0 107.902 179.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.329 -0.49 0 CA-C-O 116.139 -1.692 . . . . 0.0 108.324 178.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.607 0 O-C-N 127.068 2.73 . . . . 0.0 112.152 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -2.0 0 C-N-CA 126.797 2.039 . . . . 0.0 114.862 -174.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.568 1.667 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 174.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.303 0 C-N-CA 125.071 1.348 . . . . 0.0 113.621 -175.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.257 1.46 0 CA-C-O 117.403 -1.284 . . . . 0.0 112.789 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.313 0 CA-C-N 121.779 2.082 . . . . 0.0 114.929 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.311 -1.442 0 C-N-CA 122.155 1.904 . . . . 0.0 113.372 178.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.893 0 C-N-CA 129.767 3.227 . . . . 0.0 112.251 178.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.045 0 O-C-N 119.384 -2.072 . . . . 0.0 109.517 177.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.559 1.314 0 CA-C-O 115.59 -2.148 . . . . 0.0 109.247 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 127.366 2.916 . . . . 0.0 109.42 179.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.223 0 O-C-N 120.309 -1.494 . . . . 0.0 112.881 177.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-O 122.036 0.922 . . . . 0.0 113.372 179.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.269 0 C-N-CA 126.509 1.924 . . . . 0.0 109.253 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 125.061 1.476 . . . . 0.0 110.222 175.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.14 0 C-N-CA 127.056 2.143 . . . . 0.0 114.62 178.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 1.991 0 CA-C-O 117.068 -1.962 . . . . 0.0 112.36 178.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 118.156 0.978 . . . . 0.0 108.519 179.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 176.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.941 0 C-N-CA 123.913 0.885 . . . . 0.0 112.852 -179.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.457 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 -175.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.31 -1.117 0 C-N-CA 124.998 1.319 . . . . 0.0 108.067 175.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 177.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.928 0 CA-C-N 114.285 -1.325 . . . . 0.0 110.129 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-O 115.963 -1.97 . . . . 0.0 112.337 178.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.58 0 N-CA-C 116.586 2.069 . . . . 0.0 116.586 -174.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.6 0 CA-C-O 122.756 1.265 . . . . 0.0 112.281 -178.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.448 -1.178 0 C-N-CA 122.367 2.045 . . . . 0.0 115.072 -179.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 107.472 -1.307 . . . . 0.0 107.472 177.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.436 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 178.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.497 -1.095 0 O-C-N 118.272 -2.768 . . . . 0.0 114.674 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.255 1.361 0 N-CA-C 115.951 1.834 . . . . 0.0 115.951 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.062 0 CA-C-N 120.306 1.145 . . . . 0.0 114.91 -179.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.266 1.026 . . . . 0.0 112.02 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 O-C-N 125.132 1.52 . . . . 0.0 111.445 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.255 1.368 0 N-CA-C 116.894 2.183 . . . . 0.0 116.894 179.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 127.663 2.385 . . . . 0.0 115.58 -178.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.246 0.897 0 N-CA-C 117.129 2.27 . . . . 0.0 117.129 -178.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.482 -2.018 0 CA-C-O 115.725 -2.708 . . . . 0.0 118.859 177.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.946 0 CA-C-N 124.109 3.955 . . . . 0.0 111.347 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-O 115.605 -2.141 . . . . 0.0 106.29 177.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.527 0 O-C-N 125.481 1.738 . . . . 0.0 107.682 -178.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.451 0 O-C-N 125.86 1.975 . . . . 0.0 111.496 -179.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-O 122.088 0.947 . . . . 0.0 110.726 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.064 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.266 1.939 0 O-C-N 126.026 2.078 . . . . 0.0 116.211 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.772 0 CA-C-O 117.915 -1.04 . . . . 0.0 112.605 -178.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 1.967 0 N-CA-C 107.793 -2.123 . . . . 0.0 107.793 -178.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 125.299 2.476 . . . . 0.0 112.66 -177.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.246 0.872 0 CA-C-N 110.909 -2.859 . . . . 0.0 110.414 179.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 126.35 2.281 . . . . 0.0 105.453 176.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.393 0 N-CA-C 117.837 2.532 . . . . 0.0 117.837 -176.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 178.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 103.816 -2.661 . . . . 0.0 103.816 177.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 CA-C-N 111.961 -2.381 . . . . 0.0 108.062 -179.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.323 0 N-CA-C 118.505 2.162 . . . . 0.0 118.505 -178.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.702 0 O-C-N 121.474 -1.015 . . . . 0.0 112.218 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.685 0 O-C-N 123.685 0.616 . . . . 0.0 112.633 -177.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-O 124.192 1.948 . . . . 0.0 110.087 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.886 0 CA-C-N 113.444 -1.707 . . . . 0.0 108.377 -178.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.463 0.491 0 CA-C-N 114.005 -1.452 . . . . 0.0 110.194 179.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 124.814 0.95 . . . . 0.0 109.984 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.247 0.965 0 CA-C-N 114.376 -1.284 . . . . 0.0 109.4 179.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.184 0 O-C-N 124.565 1.166 . . . . 0.0 110.201 178.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.812 0 N-CA-C 119.06 2.384 . . . . 0.0 119.06 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.829 0 O-C-N 120.901 -1.352 . . . . 0.0 109.118 179.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 107.092 -1.448 . . . . 0.0 107.092 178.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.266 1.935 0 O-C-N 125.67 1.856 . . . . 0.0 110.252 179.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.331 0.586 . . . . 0.0 111.852 -179.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 115.755 -2.069 . . . . 0.0 108.814 -177.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.892 0 O-C-N 127.229 2.83 . . . . 0.0 110.404 178.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 117.615 -1.183 . . . . 0.0 109.54 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 O-C-N 128.162 3.414 . . . . 0.0 112.847 -177.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.27 0 O-C-N 125.124 1.515 . . . . 0.0 111.686 -178.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 123.875 0.87 . . . . 0.0 110.228 178.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.292 -1.929 0 N-CA-C 118.058 2.614 . . . . 0.0 118.058 175.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.313 -1.021 0 C-N-CA 124.089 0.956 . . . . 0.0 109.054 177.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 127.43 2.956 . . . . 0.0 111.366 -177.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 130.028 3.331 . . . . 0.0 108.972 178.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.93 0 O-C-N 126.774 2.546 . . . . 0.0 113.796 -178.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -178.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 124.748 1.28 . . . . 0.0 109.999 178.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.303 -1.419 0 C-N-CA 124.042 0.937 . . . . 0.0 109.143 179.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.868 0 C-N-CA 123.516 0.726 . . . . 0.0 112.734 -178.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-O 116.955 -1.497 . . . . 0.0 110.959 -177.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.668 0 CA-C-O 116.767 -1.587 . . . . 0.0 110.699 -176.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.151 0 CA-C-N 119.521 1.055 . . . . 0.0 112.881 -178.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 124.909 1.284 . . . . 0.0 111.726 -178.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 125.02 1.45 . . . . 0.0 108.274 -179.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 126.564 2.415 . . . . 0.0 111.618 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.002 0 C-N-CA 120.153 -0.619 . . . . 0.0 110.52 177.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 -177.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 125.652 1.581 . . . . 0.0 111.262 177.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.465 0.632 0 O-C-N 121.344 -0.847 . . . . 0.0 114.29 -179.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 179.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 119.863 -1.773 . . . . 0.0 109.693 -179.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.44 -0.938 0 N-CA-C 116.408 2.003 . . . . 0.0 116.408 -176.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.306 -1.313 0 O-C-N 125.253 1.596 . . . . 0.0 110.337 -176.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 112.549 -2.114 . . . . 0.0 108.288 176.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 N-CA-C 104.509 -2.404 . . . . 0.0 104.509 178.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 125.379 1.674 . . . . 0.0 108.275 -177.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.262 0 O-C-N 125.923 2.014 . . . . 0.0 110.987 -175.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.457 0 O-C-N 126.276 2.724 . . . . 0.0 115.034 -176.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 120.406 -1.434 . . . . 0.0 113.821 177.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.382 0 N-CA-C 115.579 1.696 . . . . 0.0 115.579 -177.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.264 1.844 0 CA-C-O 115.097 -2.382 . . . . 0.0 112.745 -178.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.634 0 CA-C-N 120.959 1.709 . . . . 0.0 114.824 -177.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.026 0 C-N-CA 127.017 2.127 . . . . 0.0 111.163 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 O-C-N 126.287 2.242 . . . . 0.0 110.479 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 125.361 1.465 . . . . 0.0 107.067 177.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.729 0 C-N-CA 126.604 1.962 . . . . 0.0 112.587 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.252 1.187 0 CA-C-N 113.21 -1.814 . . . . 0.0 111.416 -177.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.309 -1.157 0 C-N-CA 123.876 0.87 . . . . 0.0 113.174 -179.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 104.158 -2.534 . . . . 0.0 104.158 177.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 104.835 -2.283 . . . . 0.0 104.835 178.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 128.498 3.624 . . . . 0.0 116.992 -175.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.334 0 N-CA-C 105.295 -3.122 . . . . 0.0 105.295 177.087 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.273 2.331 0 O-C-N 128.507 3.121 . . . . 0.0 106.524 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.822 0 C-N-CA 118.916 -1.114 . . . . 0.0 112.694 -177.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.77 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 177.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.839 0 CA-C-O 122.434 1.111 . . . . 0.0 108.125 176.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.302 0 C-N-CA 121.516 1.477 . . . . 0.0 111.851 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 177.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 105.289 -2.115 . . . . 0.0 105.289 177.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 122.811 1.291 . . . . 0.0 110.093 -176.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.25 1.143 0 CA-C-N 112.679 -2.055 . . . . 0.0 112.785 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.309 -1.191 0 CA-C-N 118.187 0.993 . . . . 0.0 110.776 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.951 0 O-C-N 123.492 1.259 . . . . 0.0 111.662 177.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 103.169 -2.9 . . . . 0.0 103.169 178.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.335 0 O-C-N 126.858 2.599 . . . . 0.0 112.264 -178.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.679 0 N-CA-C 107.572 -1.742 . . . . 0.0 107.572 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.971 0 O-C-N 128.129 3.393 . . . . 0.0 102.979 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.266 1.939 0 CA-C-O 115.954 -1.974 . . . . 0.0 108.786 -178.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.544 1.862 0 N-CA-C 104.089 -3.604 . . . . 0.0 104.089 179.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.257 1.486 0 CA-C-O 115.693 -2.099 . . . . 0.0 109.505 -176.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.746 0 N-CA-C 103.699 -2.704 . . . . 0.0 103.699 -179.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.498 -1.048 0 O-C-N 127.768 3.168 . . . . 0.0 113.532 -179.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 106.409 -1.7 . . . . 0.0 106.409 -177.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.501 2.968 0 O-C-N 126.288 2.242 . . . . 0.0 107.575 -179.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.087 -2.419 . . . . 0.0 110.271 -177.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.309 0 N-CA-C 100.649 -3.834 . . . . 0.0 100.649 -175.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.265 0 CA-C-O 115.226 -2.072 . . . . 0.0 112.109 177.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.813 0 CA-C-N 120.716 1.598 . . . . 0.0 109.601 177.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.423 0 CA-C-N 112.795 -2.002 . . . . 0.0 110.618 178.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.434 -1.257 0 O-C-N 120.949 -1.094 . . . . 0.0 110.427 178.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.159 0 O-C-N 125.816 1.947 . . . . 0.0 110.276 -178.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.089 0 O-C-N 127.029 2.706 . . . . 0.0 107.038 178.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.625 0 CA-C-O 122.202 1.001 . . . . 0.0 112.972 177.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.901 0 O-C-N 117.463 -3.273 . . . . 0.0 114.553 179.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.814 0 O-C-N 125.649 1.843 . . . . 0.0 108.145 179.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.565 1 O-C-N 129.224 4.077 . . . . 0.0 109.741 179.198 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 120.066 -1.646 . . . . 0.0 111.842 179.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.302 -1.497 0 C-N-CA 125.096 1.358 . . . . 0.0 112.714 178.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.059 0 C-N-CA 127.995 2.712 . . . . 0.0 114.327 -178.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.273 2.333 0 C-N-CA 128.266 2.626 . . . . 0.0 111.501 -178.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 C-N-CA 117.633 -1.627 . . . . 0.0 107.392 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.09 0 CA-C-O 117.293 -1.336 . . . . 0.0 109.017 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.307 0 C-N-CA 122.874 2.383 . . . . 0.0 111.75 179.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 332' ' ' ASN . . . . . . . . . . . . . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.011 0 O-C-N 118.655 -2.528 . . . . 0.0 115.693 -177.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.033 0 C-N-CA 126.597 1.959 . . . . 0.0 110.917 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.947 0 C-N-CA 123.394 2.73 . . . . 0.0 115.473 178.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.684 0 CA-C-N 121.319 1.872 . . . . 0.0 113.483 177.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 124.977 1.311 . . . . 0.0 108.017 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.848 0 C-N-CA 119.079 -1.049 . . . . 0.0 109.754 179.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.576 -0.703 . . . . 0.0 109.287 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 114.216 -1.356 . . . . 0.0 109.749 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 119.588 1.085 . . . . 0.0 111.946 -177.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-O 117.096 -1.431 . . . . 0.0 111.855 -178.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.289 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 -178.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.258 1.51 0 CA-C-N 114.588 -1.187 . . . . 0.0 109.157 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-O 124.877 2.275 . . . . 0.0 109.422 178.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.034 0 CA-C-N 112.716 -2.038 . . . . 0.0 111.294 178.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.736 0 CA-C-N 121.16 1.8 . . . . 0.0 112.759 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.253 1.285 0 CA-C-O 118.486 -0.768 . . . . 0.0 112.283 -176.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 O-C-N 124.064 0.853 . . . . 0.0 109.092 -179.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-O 115.233 -2.318 . . . . 0.0 110.927 -178.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.201 0 O-C-N 127.581 3.051 . . . . 0.0 111.035 178.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.294 -1.815 0 C-N-CA 127.412 2.285 . . . . 0.0 113.737 -177.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 125.986 2.054 . . . . 0.0 112.22 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.361 0 CA-C-N 121.306 1.866 . . . . 0.0 114.838 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.569 0 C-N-CA 124.757 1.223 . . . . 0.0 111.425 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 178.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.307 -1.247 0 N-CA-C 107.305 -1.368 . . . . 0.0 107.305 178.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 O-C-N 124.811 1.319 . . . . 0.0 110.007 -178.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-N 113.638 -1.619 . . . . 0.0 111.073 178.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 127.126 2.17 . . . . 0.0 112.535 -178.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 113.722 -1.581 . . . . 0.0 111.933 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.243 0.726 0 CA-C-O 116.755 -1.593 . . . . 0.0 111.658 -178.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 126.479 2.362 . . . . 0.0 107.528 178.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.047 0 C-N-CA 126.377 1.871 . . . . 0.0 113.16 179.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.603 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.308 -1.212 0 O-C-N 124.42 1.075 . . . . 0.0 108.214 178.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-O 116.525 -1.702 . . . . 0.0 112.149 179.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.513 0 N-CA-C 115.888 1.81 . . . . 0.0 115.888 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 O-C-N 124.479 1.112 . . . . 0.0 111.116 -177.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.311 -1.099 0 O-C-N 125.473 1.733 . . . . 0.0 111.373 -178.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.091 0 C-N-CA 127.311 2.244 . . . . 0.0 107.414 179.159 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 500' ' ' MXT . . . . . 1.311 H121 ' N ' ' A' ' 41' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 600' ' ' MXT . . . . . 0.711 ' O12' H232 ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 1.024 ' H ' H121 ' A' ' 500' ' ' MXT . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.506 2.329 0 O-C-N 125.664 1.852 . . . . 0.0 106.832 172.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.741 1 O-C-N 129.233 4.281 . . . . 0.0 108.028 -177.141 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.912 0 CA-C-N 121.048 1.749 . . . . 0.0 112.618 -178.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.195 0 CA-C-N 114.22 -1.355 . . . . 0.0 110.886 -178.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.172 0 C-N-CA 126.972 2.109 . . . . 0.0 110.178 -177.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.465 0 O-C-N 120.889 -1.132 . . . . 0.0 109.855 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.58 0 N-CA-C 105.883 -1.895 . . . . 0.0 105.883 -177.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 127.148 2.78 . . . . 0.0 107.866 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.759 0 CA-C-O 115.414 -2.232 . . . . 0.0 106.469 177.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.557 1 O-C-N 130.702 5.001 . . . . 0.0 106.288 178.157 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.109 0 CA-C-O 113.72 -3.038 . . . . 0.0 105.88 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-N 121.153 1.797 . . . . 0.0 110.058 -177.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.785 0 O-C-N 125.857 1.973 . . . . 0.0 105.8 -176.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.254 1.302 0 O-C-N 127.497 2.998 . . . . 0.0 112.807 -176.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.965 0 O-C-N 127.201 2.813 . . . . 0.0 112.281 177.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 122.134 2.243 . . . . 0.0 111.938 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.332 -0.172 0 O-C-N 126.606 2.441 . . . . 0.0 109.676 -174.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.323 -0.764 0 C-N-CA 124.702 3.602 . . . . 0.0 111.967 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.475 0.814 0 CA-C-N 111.712 -2.495 . . . . 0.0 106.786 179.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.265 0 O-C-N 127.514 3.376 . . . . 0.0 107.933 178.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.505 0 CA-C-O 116.155 -1.685 . . . . 0.0 108.335 178.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.606 0 O-C-N 127.065 2.728 . . . . 0.0 112.145 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.989 0 C-N-CA 126.762 2.025 . . . . 0.0 114.931 -174.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.688 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 175.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.298 0 O-C-N 124.897 1.373 . . . . 0.0 113.677 -175.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.255 1.391 0 CA-C-O 117.439 -1.267 . . . . 0.0 112.819 -179.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.253 1.267 0 CA-C-N 121.704 2.047 . . . . 0.0 114.936 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.311 -1.443 0 C-N-CA 122.103 1.869 . . . . 0.0 113.309 178.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.293 -1.887 0 C-N-CA 129.787 3.235 . . . . 0.0 112.285 178.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.311 -1.066 0 O-C-N 119.427 -2.046 . . . . 0.0 109.527 177.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.346 0 CA-C-O 115.604 -2.141 . . . . 0.0 109.232 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 127.415 2.947 . . . . 0.0 109.375 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.195 0 O-C-N 120.345 -1.472 . . . . 0.0 112.882 177.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-O 122.061 0.934 . . . . 0.0 113.368 179.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.253 0 C-N-CA 126.49 1.916 . . . . 0.0 109.251 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 125.104 1.503 . . . . 0.0 110.212 175.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.271 2.19 0 C-N-CA 127.134 2.174 . . . . 0.0 114.556 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 1.987 0 CA-C-O 117.053 -1.97 . . . . 0.0 112.376 178.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-N 118.142 0.971 . . . . 0.0 108.48 179.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 176.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.947 0 C-N-CA 123.931 0.892 . . . . 0.0 112.883 -179.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.461 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 -175.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.085 0 C-N-CA 124.976 1.31 . . . . 0.0 108.088 175.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 177.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.953 0 CA-C-N 114.288 -1.324 . . . . 0.0 110.055 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-O 115.974 -1.965 . . . . 0.0 112.324 178.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.564 0 N-CA-C 116.566 2.061 . . . . 0.0 116.566 -174.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.578 0 CA-C-O 122.734 1.254 . . . . 0.0 112.28 -178.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 122.371 2.048 . . . . 0.0 115.121 -179.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 177.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.439 0 N-CA-C 115.172 1.545 . . . . 0.0 115.172 178.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.118 0 O-C-N 118.348 -2.72 . . . . 0.0 114.677 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.292 0 N-CA-C 115.963 1.838 . . . . 0.0 115.963 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.028 0 CA-C-N 120.265 1.13 . . . . 0.0 114.849 -179.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.25 1.02 . . . . 0.0 112.028 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 O-C-N 125.116 1.51 . . . . 0.0 111.473 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.317 0 N-CA-C 116.94 2.2 . . . . 0.0 116.94 179.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 127.62 2.368 . . . . 0.0 115.573 -178.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.839 0 N-CA-C 117.103 2.26 . . . . 0.0 117.103 -178.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.057 0 CA-C-O 115.683 -2.732 . . . . 0.0 118.894 177.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.29 -1.988 0 CA-C-N 124.147 3.973 . . . . 0.0 111.363 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-O 115.626 -2.131 . . . . 0.0 106.292 177.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.524 0 O-C-N 125.497 1.748 . . . . 0.0 107.622 -178.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.487 0 O-C-N 125.774 1.921 . . . . 0.0 111.45 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-O 122.103 0.954 . . . . 0.0 110.741 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.248 1.007 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.268 2.03 0 O-C-N 126.064 2.103 . . . . 0.0 116.166 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.262 1.758 0 CA-C-O 117.944 -1.027 . . . . 0.0 112.616 -178.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.485 1.914 0 N-CA-C 107.823 -2.111 . . . . 0.0 107.823 -178.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 125.32 2.486 . . . . 0.0 112.641 -177.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.829 0 CA-C-N 110.913 -2.858 . . . . 0.0 110.394 179.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.314 -0.974 0 O-C-N 126.376 2.298 . . . . 0.0 105.405 176.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.399 0 N-CA-C 117.786 2.513 . . . . 0.0 117.786 -176.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 178.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 103.837 -2.653 . . . . 0.0 103.837 177.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 CA-C-N 111.958 -2.383 . . . . 0.0 108.029 -179.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.292 0 N-CA-C 118.541 2.176 . . . . 0.0 118.541 -178.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.243 0.714 0 O-C-N 121.448 -1.03 . . . . 0.0 112.272 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.642 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -177.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-O 124.207 1.956 . . . . 0.0 110.08 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.912 0 CA-C-N 113.452 -1.703 . . . . 0.0 108.363 -178.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.464 0.505 0 CA-C-N 114.029 -1.441 . . . . 0.0 110.185 179.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 124.829 0.958 . . . . 0.0 110.008 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.974 0 CA-C-N 114.355 -1.293 . . . . 0.0 109.379 179.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.187 0 O-C-N 124.491 1.119 . . . . 0.0 110.197 178.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 CA--C 1.501 -0.824 0 N-CA-C 119.08 2.392 . . . . 0.0 119.08 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.822 0 O-C-N 120.892 -1.358 . . . . 0.0 109.059 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 107.073 -1.455 . . . . 0.0 107.073 178.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.912 0 O-C-N 125.64 1.838 . . . . 0.0 110.285 179.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.327 0.584 . . . . 0.0 111.879 -179.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 115.662 -2.113 . . . . 0.0 108.775 -177.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.934 0 O-C-N 127.28 2.863 . . . . 0.0 110.369 178.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 117.672 -1.156 . . . . 0.0 109.596 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 O-C-N 128.128 3.393 . . . . 0.0 112.816 -177.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.278 0 O-C-N 125.076 1.485 . . . . 0.0 111.756 -178.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 123.878 0.871 . . . . 0.0 110.178 178.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.942 0 N-CA-C 118.029 2.603 . . . . 0.0 118.029 175.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.037 0 C-N-CA 124.132 0.973 . . . . 0.0 109.116 177.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 127.404 2.94 . . . . 0.0 111.405 -177.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 129.985 3.314 . . . . 0.0 108.963 178.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.246 0.889 0 O-C-N 126.788 2.555 . . . . 0.0 113.809 -178.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 -178.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 124.764 1.29 . . . . 0.0 109.984 178.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.382 0 C-N-CA 124.061 0.944 . . . . 0.0 109.194 179.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.315 -0.917 0 O-C-N 123.835 0.709 . . . . 0.0 112.692 -178.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 1 C--O 15.156 732.995 1 CA-C-O 101.629 -8.796 . . . . 0.0 111.005 -177.862 . . . . . . . . 4 3 . 1 . 019 nuclear orig full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.664 1 O-C-N 58.271 -40.268 . . . . 0.0 110.697 -176.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.158 0 CA-C-N 119.533 1.06 . . . . 0.0 112.875 -178.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.431 -1.406 0 C-N-CA 124.918 1.287 . . . . 0.0 111.698 -178.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 125.053 1.471 . . . . 0.0 108.264 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.743 0 O-C-N 126.572 2.42 . . . . 0.0 111.625 -178.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.249 1.054 0 C-N-CA 120.132 -0.627 . . . . 0.0 110.522 177.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 114.347 1.24 . . . . 0.0 114.347 -177.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.508 0 C-N-CA 125.643 1.577 . . . . 0.0 111.277 177.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.466 0.694 0 O-C-N 121.336 -0.853 . . . . 0.0 114.276 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.616 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.322 -0.628 0 O-C-N 119.881 -1.762 . . . . 0.0 109.668 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 116.374 1.99 . . . . 0.0 116.374 -176.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 125.239 1.587 . . . . 0.0 110.278 -176.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 112.499 -2.137 . . . . 0.0 108.32 176.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 N-CA-C 104.528 -2.397 . . . . 0.0 104.528 178.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 125.424 1.702 . . . . 0.0 108.312 -177.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.273 0 O-C-N 125.874 1.984 . . . . 0.0 110.994 -175.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.469 0 O-C-N 126.292 2.733 . . . . 0.0 115.028 -176.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.527 0 O-C-N 120.39 -1.444 . . . . 0.0 113.821 177.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.39 0 N-CA-C 115.615 1.709 . . . . 0.0 115.615 -177.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--N 1.294 -1.829 0 CA-C-O 115.046 -2.407 . . . . 0.0 112.773 -178.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.606 0 CA-C-N 120.918 1.69 . . . . 0.0 114.852 -178.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.049 0 C-N-CA 127.006 2.123 . . . . 0.0 111.227 -179.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 126.196 2.185 . . . . 0.0 110.47 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 177.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.732 0 C-N-CA 126.624 1.969 . . . . 0.0 112.578 179.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.182 0 CA-C-N 113.223 -1.808 . . . . 0.0 111.429 -177.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.115 0 C-N-CA 123.84 0.856 . . . . 0.0 113.156 -179.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 104.192 -2.521 . . . . 0.0 104.192 177.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 104.848 -2.278 . . . . 0.0 104.848 178.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 128.497 3.623 . . . . 0.0 116.983 -175.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.326 0 N-CA-C 105.333 -3.107 . . . . 0.0 105.333 177.064 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.38 0 O-C-N 128.543 3.143 . . . . 0.0 106.524 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.846 0 C-N-CA 118.988 -1.085 . . . . 0.0 112.713 -177.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.839 0 CA-C-O 122.458 1.123 . . . . 0.0 108.089 176.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 121.475 1.45 . . . . 0.0 111.841 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 177.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 105.37 -2.085 . . . . 0.0 105.37 177.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 122.753 1.263 . . . . 0.0 110.138 -176.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.163 0 CA-C-N 112.629 -2.078 . . . . 0.0 112.783 179.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.309 -1.169 0 CA-C-N 118.213 1.007 . . . . 0.0 110.724 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.949 0 O-C-N 123.483 1.254 . . . . 0.0 111.644 177.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.021 0 N-CA-C 103.179 -2.897 . . . . 0.0 103.179 178.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.329 0 O-C-N 126.841 2.588 . . . . 0.0 112.22 -178.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.44 -1.666 0 N-CA-C 107.562 -1.745 . . . . 0.0 107.562 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.962 0 O-C-N 128.159 3.412 . . . . 0.0 102.973 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.266 1.968 0 CA-C-O 116.001 -1.952 . . . . 0.0 108.793 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.544 1.864 0 N-CA-C 104.072 -3.611 . . . . 0.0 104.072 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.257 1.499 0 CA-C-O 115.659 -2.115 . . . . 0.0 109.495 -178.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.718 0 N-CA-C 103.692 -2.707 . . . . 0.0 103.692 -179.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.498 -1.037 0 O-C-N 127.752 3.158 . . . . 0.0 113.509 -177.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 106.321 -1.733 . . . . 0.0 106.321 -178.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.907 0 O-C-N 126.254 2.221 . . . . 0.0 107.647 -179.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.448 -2.207 . . . . 0.0 110.271 -176.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.334 0 N-CA-C 100.637 -3.838 . . . . 0.0 100.637 179.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.294 0 CA-C-O 115.241 -2.066 . . . . 0.0 112.111 -179.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.809 0 CA-C-N 120.715 1.598 . . . . 0.0 109.593 177.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.274 2.388 0 CA-C-N 112.842 -1.981 . . . . 0.0 110.6 178.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.305 0 O-C-N 120.903 -1.123 . . . . 0.0 110.424 178.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.164 0 O-C-N 125.797 1.935 . . . . 0.0 110.232 -178.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.289 -2.059 0 O-C-N 127.015 2.697 . . . . 0.0 107.088 178.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.609 0 CA-C-O 122.205 1.002 . . . . 0.0 112.903 177.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.905 0 O-C-N 117.48 -3.263 . . . . 0.0 114.594 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.816 0 O-C-N 125.564 1.79 . . . . 0.0 108.117 179.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.299 -1.6 1 O-C-N 129.249 4.093 . . . . 0.0 109.805 179.177 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 120.081 -1.637 . . . . 0.0 111.844 179.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 125.112 1.365 . . . . 0.0 112.761 178.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.034 0 C-N-CA 128.0 2.714 . . . . 0.0 114.286 -179.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.273 2.298 0 C-N-CA 128.254 2.622 . . . . 0.0 111.518 -178.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 C-N-CA 117.581 -1.648 . . . . 0.0 107.374 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.287 -2.116 0 CA-C-O 117.288 -1.339 . . . . 0.0 108.982 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.308 0 C-N-CA 122.848 2.365 . . . . 0.0 111.754 178.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 332' ' ' ASN . . . . . . . . . . . . . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.249 1.044 0 O-C-N 118.608 -2.557 . . . . 0.0 115.692 -177.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.033 0 C-N-CA 126.625 1.97 . . . . 0.0 110.913 178.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.943 0 C-N-CA 123.397 2.731 . . . . 0.0 115.488 178.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-N 121.32 1.873 . . . . 0.0 113.47 177.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 124.955 1.302 . . . . 0.0 107.991 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.817 0 C-N-CA 119.102 -1.039 . . . . 0.0 109.749 179.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.588 -0.695 . . . . 0.0 109.312 179.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 114.214 -1.357 . . . . 0.0 109.759 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.295 0 CA-C-N 119.543 1.065 . . . . 0.0 111.89 -177.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 117.087 -1.435 . . . . 0.0 111.862 -178.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 -178.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.469 0 CA-C-N 114.581 -1.19 . . . . 0.0 109.151 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-O 124.924 2.297 . . . . 0.0 109.444 178.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.049 0 CA-C-N 112.748 -2.024 . . . . 0.0 111.32 178.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.747 0 CA-C-N 121.145 1.793 . . . . 0.0 112.752 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.253 1.268 0 CA-C-O 118.445 -0.788 . . . . 0.0 112.288 -176.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 O-C-N 124.132 0.895 . . . . 0.0 109.081 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-O 115.185 -2.34 . . . . 0.0 110.914 -178.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.234 0 O-C-N 127.602 3.063 . . . . 0.0 111.014 178.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.788 0 C-N-CA 127.363 2.265 . . . . 0.0 113.755 -177.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 125.982 2.051 . . . . 0.0 112.213 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.352 0 CA-C-N 121.329 1.877 . . . . 0.0 114.806 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.576 0 C-N-CA 124.796 1.239 . . . . 0.0 111.413 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 178.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.234 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 178.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 O-C-N 124.832 1.332 . . . . 0.0 110.034 -178.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 113.688 -1.596 . . . . 0.0 111.045 178.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 127.123 2.169 . . . . 0.0 112.531 -178.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 113.677 -1.602 . . . . 0.0 111.968 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-O 116.718 -1.61 . . . . 0.0 111.695 -178.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 126.579 2.424 . . . . 0.0 107.537 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.05 0 C-N-CA 126.426 1.89 . . . . 0.0 113.153 179.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.621 -179.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.186 0 O-C-N 124.438 1.087 . . . . 0.0 108.164 178.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-O 116.55 -1.691 . . . . 0.0 112.104 179.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.518 0 N-CA-C 115.924 1.824 . . . . 0.0 115.924 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 O-C-N 124.459 1.099 . . . . 0.0 111.102 -177.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.134 0 O-C-N 125.457 1.723 . . . . 0.0 111.352 -178.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.085 0 C-N-CA 127.23 2.212 . . . . 0.0 107.473 179.146 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 500' ' ' MXT . . . . . 1.024 H121 ' H ' ' A' ' 42' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 600' ' ' MXT . . . . . 0.733 H232 ' O12' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.472 ' CA ' H122 ' A' ' 500' ' ' MXT . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 1.047 ' H ' ' C11' ' A' ' 500' ' ' MXT . 0.8 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.303 0 O-C-N 125.664 1.852 . . . . 0.0 106.868 173.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.731 1 O-C-N 129.187 4.256 . . . . 0.0 107.962 -177.726 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.908 0 CA-C-N 120.994 1.725 . . . . 0.0 112.6 -178.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.502 2.168 0 CA-C-N 114.26 -1.336 . . . . 0.0 110.945 -179.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.222 0 C-N-CA 126.982 2.113 . . . . 0.0 110.255 -177.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.454 0 O-C-N 120.835 -1.166 . . . . 0.0 109.819 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.566 0 N-CA-C 105.896 -1.89 . . . . 0.0 105.896 -177.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 127.15 2.781 . . . . 0.0 107.831 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.785 0 CA-C-O 115.47 -2.205 . . . . 0.0 106.403 177.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.571 1 O-C-N 130.666 4.979 . . . . 0.0 106.285 178.41 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.162 0 CA-C-O 113.736 -3.03 . . . . 0.0 105.838 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-N 121.12 1.782 . . . . 0.0 110.048 -177.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.774 0 O-C-N 125.864 1.977 . . . . 0.0 105.783 -176.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.362 0 O-C-N 127.494 2.996 . . . . 0.0 112.79 -176.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.267 1.975 0 O-C-N 127.166 2.792 . . . . 0.0 112.267 177.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 122.154 2.252 . . . . 0.0 111.951 -179.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--O 1.225 -0.216 0 O-C-N 126.64 2.462 . . . . 0.0 109.734 -174.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.739 0 C-N-CA 124.652 3.568 . . . . 0.0 111.945 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.855 0 CA-C-N 111.717 -2.492 . . . . 0.0 106.76 179.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.267 0 O-C-N 127.517 3.377 . . . . 0.0 107.904 178.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.512 0 C-N-CA 121.868 1.712 . . . . 0.0 108.273 178.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.604 0 O-C-N 127.057 2.723 . . . . 0.0 112.183 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.986 0 C-N-CA 126.767 2.027 . . . . 0.0 114.941 -174.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.674 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 175.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.307 -1.278 0 O-C-N 124.875 1.36 . . . . 0.0 113.64 -175.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.44 0 CA-C-O 117.443 -1.265 . . . . 0.0 112.779 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.253 1.266 0 CA-C-N 121.761 2.073 . . . . 0.0 114.943 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.47 0 C-N-CA 122.156 1.904 . . . . 0.0 113.3 178.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.293 -1.882 0 C-N-CA 129.795 3.238 . . . . 0.0 112.293 178.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.313 -1.02 0 O-C-N 119.428 -2.045 . . . . 0.0 109.544 177.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.336 0 CA-C-O 115.545 -2.169 . . . . 0.0 109.196 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 127.415 2.947 . . . . 0.0 109.395 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.216 0 O-C-N 120.325 -1.485 . . . . 0.0 112.886 177.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-O 122.048 0.927 . . . . 0.0 113.334 179.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.306 -1.289 0 C-N-CA 126.489 1.916 . . . . 0.0 109.233 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 125.121 1.513 . . . . 0.0 110.253 175.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.269 2.124 0 C-N-CA 127.083 2.153 . . . . 0.0 114.584 178.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.0 0 CA-C-O 117.076 -1.958 . . . . 0.0 112.327 178.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.446 0 CA-C-N 118.138 0.969 . . . . 0.0 108.501 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 176.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.941 0 C-N-CA 123.985 0.914 . . . . 0.0 112.802 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.456 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -175.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.077 0 C-N-CA 124.98 1.312 . . . . 0.0 108.067 175.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 177.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.969 0 CA-C-N 114.306 -1.316 . . . . 0.0 110.057 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-O 115.927 -1.987 . . . . 0.0 112.329 178.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.58 0 N-CA-C 116.551 2.056 . . . . 0.0 116.551 -174.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.592 0 CA-C-O 122.713 1.245 . . . . 0.0 112.289 -178.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.264 0 C-N-CA 122.381 2.054 . . . . 0.0 115.181 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 177.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.44 0 N-CA-C 115.151 1.537 . . . . 0.0 115.151 178.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.099 0 O-C-N 118.343 -2.723 . . . . 0.0 114.632 -179.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.253 1.287 0 N-CA-C 115.976 1.843 . . . . 0.0 115.976 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.067 0 CA-C-N 120.241 1.122 . . . . 0.0 114.884 -179.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.256 1.022 . . . . 0.0 112.067 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 O-C-N 125.054 1.472 . . . . 0.0 111.429 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.295 0 N-CA-C 116.93 2.196 . . . . 0.0 116.93 179.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 127.59 2.356 . . . . 0.0 115.572 -178.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.246 0.892 0 N-CA-C 117.101 2.26 . . . . 0.0 117.101 -178.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.052 0 CA-C-O 115.743 -2.698 . . . . 0.0 118.902 177.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.948 0 CA-C-N 124.147 3.973 . . . . 0.0 111.378 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-O 115.626 -2.13 . . . . 0.0 106.289 177.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.302 -1.495 0 O-C-N 125.506 1.754 . . . . 0.0 107.648 -178.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.498 0 O-C-N 125.767 1.917 . . . . 0.0 111.47 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-O 122.068 0.937 . . . . 0.0 110.698 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.248 1.0 0 N-CA-C 106.723 -1.584 . . . . 0.0 106.723 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.266 1.973 0 O-C-N 126.052 2.095 . . . . 0.0 116.222 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.806 0 CA-C-O 117.869 -1.062 . . . . 0.0 112.576 -178.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.485 1.931 0 N-CA-C 107.829 -2.108 . . . . 0.0 107.829 -178.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 125.321 2.486 . . . . 0.0 112.691 -177.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.839 0 CA-C-N 110.879 -2.873 . . . . 0.0 110.462 179.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.314 -0.977 0 O-C-N 126.344 2.278 . . . . 0.0 105.426 176.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.394 0 N-CA-C 117.825 2.528 . . . . 0.0 117.825 -176.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 178.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 103.828 -2.656 . . . . 0.0 103.828 177.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 CA-C-N 112.01 -2.359 . . . . 0.0 108.025 -179.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.313 0 N-CA-C 118.546 2.179 . . . . 0.0 118.546 -178.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.695 0 O-C-N 121.419 -1.048 . . . . 0.0 112.239 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.659 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -177.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-O 124.254 1.978 . . . . 0.0 109.997 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.247 0.935 0 CA-C-N 113.424 -1.716 . . . . 0.0 108.355 -178.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.463 0.45 0 CA-C-N 114.069 -1.423 . . . . 0.0 110.238 179.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 124.849 0.97 . . . . 0.0 109.966 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.986 0 CA-C-N 114.378 -1.283 . . . . 0.0 109.362 179.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.213 0 O-C-N 124.528 1.143 . . . . 0.0 110.188 178.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 CA--C 1.5 -0.85 0 N-CA-C 119.06 2.384 . . . . 0.0 119.06 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 120.881 -1.364 . . . . 0.0 109.111 179.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.307 -1.257 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 178.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.884 0 O-C-N 125.711 1.882 . . . . 0.0 110.277 179.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.331 0.586 . . . . 0.0 111.893 -179.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 115.687 -2.101 . . . . 0.0 108.816 -177.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.912 0 O-C-N 127.298 2.874 . . . . 0.0 110.36 178.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 117.685 -1.15 . . . . 0.0 109.589 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 O-C-N 128.077 3.36 . . . . 0.0 112.799 -177.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.283 0 O-C-N 125.156 1.535 . . . . 0.0 111.729 -178.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 123.886 0.874 . . . . 0.0 110.248 178.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.292 -1.902 0 N-CA-C 118.029 2.603 . . . . 0.0 118.029 175.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.059 0 C-N-CA 124.113 0.965 . . . . 0.0 109.092 177.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 127.433 2.958 . . . . 0.0 111.388 -177.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.305 -1.335 0 C-N-CA 129.977 3.311 . . . . 0.0 109.006 178.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.246 0.88 0 O-C-N 126.727 2.517 . . . . 0.0 113.796 -178.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 115.259 1.577 . . . . 0.0 115.259 -178.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 124.711 1.257 . . . . 0.0 109.941 178.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 123.967 0.907 . . . . 0.0 109.179 179.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 123.449 0.7 . . . . 0.0 112.748 -178.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-O 116.964 -1.493 . . . . 0.0 110.984 -177.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.657 0 CA-C-O 116.802 -1.571 . . . . 0.0 110.731 -176.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.16 0 CA-C-N 119.507 1.049 . . . . 0.0 112.801 -178.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 124.959 1.304 . . . . 0.0 111.634 -178.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 125.046 1.466 . . . . 0.0 108.321 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.744 0 O-C-N 126.552 2.408 . . . . 0.0 111.595 -178.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 0.979 0 C-N-CA 120.178 -0.609 . . . . 0.0 110.512 177.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 114.317 1.228 . . . . 0.0 114.317 -177.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.521 0 C-N-CA 125.676 1.591 . . . . 0.0 111.26 177.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.466 0.654 0 O-C-N 121.31 -0.869 . . . . 0.0 114.263 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.626 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 119.785 -1.822 . . . . 0.0 109.665 -179.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.878 0 N-CA-C 116.375 1.991 . . . . 0.0 116.375 -176.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 125.25 1.594 . . . . 0.0 110.289 -176.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 112.497 -2.138 . . . . 0.0 108.329 175.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 N-CA-C 104.535 -2.394 . . . . 0.0 104.535 178.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 125.44 1.713 . . . . 0.0 108.318 -177.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.302 -1.312 0 O-C-N 125.883 1.989 . . . . 0.0 110.965 -175.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.446 0 O-C-N 126.3 2.737 . . . . 0.0 115.035 -176.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.52 0 O-C-N 120.407 -1.433 . . . . 0.0 113.809 177.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.384 0 N-CA-C 115.58 1.696 . . . . 0.0 115.58 -176.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.263 1.812 0 CA-C-O 115.095 -2.383 . . . . 0.0 112.821 -178.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.259 1.592 0 CA-C-N 120.893 1.679 . . . . 0.0 114.874 -178.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.024 0 C-N-CA 127.01 2.124 . . . . 0.0 111.2 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 O-C-N 126.299 2.249 . . . . 0.0 110.482 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 125.397 1.479 . . . . 0.0 107.064 177.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.714 0 C-N-CA 126.607 1.963 . . . . 0.0 112.595 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.17 0 CA-C-N 113.175 -1.83 . . . . 0.0 111.403 -177.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.309 -1.153 0 C-N-CA 123.846 0.858 . . . . 0.0 113.179 -179.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 104.16 -2.533 . . . . 0.0 104.16 177.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 104.815 -2.291 . . . . 0.0 104.815 178.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 128.524 3.64 . . . . 0.0 117.022 -175.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.584 4.36 0 N-CA-C 105.314 -3.114 . . . . 0.0 105.314 177.079 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.365 0 O-C-N 128.496 3.115 . . . . 0.0 106.585 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.244 0.774 0 C-N-CA 118.919 -1.112 . . . . 0.0 112.695 -177.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.753 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 177.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.244 0.798 0 CA-C-O 122.45 1.119 . . . . 0.0 108.105 176.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 121.488 1.459 . . . . 0.0 111.811 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 177.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 105.373 -2.084 . . . . 0.0 105.373 177.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 122.807 1.289 . . . . 0.0 110.13 -176.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.25 1.151 0 CA-C-N 112.66 -2.064 . . . . 0.0 112.8 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.309 -1.193 0 CA-C-N 118.129 0.965 . . . . 0.0 110.747 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 O-C-N 123.503 1.265 . . . . 0.0 111.663 177.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.021 0 N-CA-C 103.166 -2.902 . . . . 0.0 103.166 178.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.347 0 O-C-N 126.882 2.614 . . . . 0.0 112.25 -178.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.684 0 N-CA-C 107.603 -1.73 . . . . 0.0 107.603 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.292 -1.926 0 O-C-N 128.128 3.393 . . . . 0.0 103.031 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.266 1.959 0 CA-C-O 115.99 -1.957 . . . . 0.0 108.795 -178.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 C--N 1.293 -1.838 0 N-CA-C 104.04 -3.624 . . . . 0.0 104.04 179.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.257 1.49 0 CA-C-O 115.706 -2.092 . . . . 0.0 109.501 -178.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.729 0 N-CA-C 103.673 -2.714 . . . . 0.0 103.673 -178.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.077 0 O-C-N 127.763 3.164 . . . . 0.0 113.536 -177.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 -178.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.916 0 O-C-N 126.233 2.208 . . . . 0.0 107.604 -179.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.496 -2.179 . . . . 0.0 110.271 -177.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.324 0 N-CA-C 100.597 -3.853 . . . . 0.0 100.597 -179.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.309 0 CA-C-O 115.217 -2.076 . . . . 0.0 112.085 178.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.272 -2.791 0 CA-C-N 120.723 1.601 . . . . 0.0 109.606 177.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.397 0 CA-C-N 112.795 -2.002 . . . . 0.0 110.562 178.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.278 0 O-C-N 120.957 -1.09 . . . . 0.0 110.416 178.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.155 0 O-C-N 125.771 1.92 . . . . 0.0 110.312 -178.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.074 0 O-C-N 127.038 2.711 . . . . 0.0 107.006 178.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.484 -1.593 0 CA-C-O 122.196 0.998 . . . . 0.0 112.961 177.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.884 0 O-C-N 117.498 -3.252 . . . . 0.0 114.574 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.796 0 O-C-N 125.593 1.808 . . . . 0.0 108.133 179.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.577 1 O-C-N 129.192 4.057 . . . . 0.0 109.788 179.147 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 120.061 -1.65 . . . . 0.0 111.851 179.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.302 -1.489 0 C-N-CA 125.105 1.362 . . . . 0.0 112.754 178.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.054 0 C-N-CA 128.001 2.715 . . . . 0.0 114.287 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.273 2.31 0 C-N-CA 128.224 2.61 . . . . 0.0 111.486 -179.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 C-N-CA 117.582 -1.647 . . . . 0.0 107.348 -178.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.068 0 CA-C-O 117.264 -1.351 . . . . 0.0 109.037 179.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.315 0 C-N-CA 122.877 2.385 . . . . 0.0 111.739 178.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 332' ' ' ASN . . . . . . . . . . . . . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.249 1.048 0 O-C-N 118.649 -2.532 . . . . 0.0 115.655 -175.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.043 0 C-N-CA 126.605 1.962 . . . . 0.0 110.948 -177.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.938 0 C-N-CA 123.424 2.75 . . . . 0.0 115.49 178.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-N 121.323 1.874 . . . . 0.0 113.416 177.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 124.931 1.292 . . . . 0.0 108.036 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.863 0 C-N-CA 119.037 -1.065 . . . . 0.0 109.724 179.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.583 -0.698 . . . . 0.0 109.268 179.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 C--O 1.243 0.755 0 CA-C-N 114.282 -1.326 . . . . 0.0 109.724 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-N 119.62 1.1 . . . . 0.0 111.978 -177.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-O 117.136 -1.412 . . . . 0.0 111.851 -178.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.307 -1.282 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 -178.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.467 0 CA-C-N 114.587 -1.188 . . . . 0.0 109.153 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-O 124.91 2.29 . . . . 0.0 109.395 178.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.053 0 CA-C-N 112.757 -2.02 . . . . 0.0 111.301 178.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-N 121.116 1.78 . . . . 0.0 112.732 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.314 0 CA-C-O 118.481 -0.771 . . . . 0.0 112.298 -176.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 O-C-N 124.056 0.848 . . . . 0.0 109.11 -179.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-O 115.201 -2.333 . . . . 0.0 110.883 -178.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.222 0 O-C-N 127.611 3.069 . . . . 0.0 111.06 178.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.776 0 C-N-CA 127.41 2.284 . . . . 0.0 113.694 -177.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 125.936 2.022 . . . . 0.0 112.216 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.393 0 CA-C-N 121.289 1.859 . . . . 0.0 114.777 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.26 1.619 0 C-N-CA 124.848 1.259 . . . . 0.0 111.38 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 178.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 178.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 O-C-N 124.823 1.327 . . . . 0.0 110.012 -178.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-N 113.629 -1.623 . . . . 0.0 111.02 178.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 127.165 2.186 . . . . 0.0 112.526 -178.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 113.669 -1.605 . . . . 0.0 111.97 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-O 116.757 -1.592 . . . . 0.0 111.666 -178.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 126.515 2.385 . . . . 0.0 107.497 178.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.039 0 C-N-CA 126.413 1.885 . . . . 0.0 113.162 179.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.637 -179.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.189 0 O-C-N 124.443 1.089 . . . . 0.0 108.209 178.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-O 116.542 -1.694 . . . . 0.0 112.113 179.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.257 1.477 0 N-CA-C 115.909 1.818 . . . . 0.0 115.909 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 O-C-N 124.48 1.112 . . . . 0.0 111.11 -177.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.141 0 O-C-N 125.488 1.742 . . . . 0.0 111.321 -178.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.31 -1.115 0 C-N-CA 127.274 2.23 . . . . 0.0 107.439 179.111 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 500' ' ' MXT . . . . . 1.047 ' C11' ' H ' ' A' ' 41' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 600' ' ' MXT . . . . . 0.749 ' O12' H232 ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.506 2.335 0 O-C-N 125.664 1.852 . . . . 0.0 106.843 169.76 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.716 1 O-C-N 129.172 4.249 . . . . 0.0 107.991 -175.913 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.909 0 CA-C-N 121.033 1.742 . . . . 0.0 112.625 -178.044 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.502 2.166 0 CA-C-N 114.241 -1.345 . . . . 0.0 110.92 -177.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.187 0 C-N-CA 127.005 2.122 . . . . 0.0 110.243 -177.252 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.474 0 O-C-N 120.89 -1.131 . . . . 0.0 109.846 179.8 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.583 0 N-CA-C 105.955 -1.869 . . . . 0.0 105.955 -178.182 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 127.125 2.766 . . . . 0.0 107.781 179.46 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.771 0 CA-C-O 115.399 -2.239 . . . . 0.0 106.454 -179.059 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.533 1 O-C-N 130.714 5.009 . . . . 0.0 106.336 169.896 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.129 0 CA-C-O 113.743 -3.027 . . . . 0.0 105.863 -179.8 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.489 1.483 0 CA-C-N 121.136 1.789 . . . . 0.0 110.016 -177.717 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.766 0 O-C-N 125.835 1.959 . . . . 0.0 105.773 -176.609 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.351 0 O-C-N 127.525 3.016 . . . . 0.0 112.736 -176.359 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.267 1.977 0 O-C-N 127.188 2.805 . . . . 0.0 112.259 177.615 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 122.189 2.268 . . . . 0.0 111.904 -179.646 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--O 1.225 -0.224 0 O-C-N 126.631 2.457 . . . . 0.0 109.727 -174.841 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.733 0 C-N-CA 124.735 3.623 . . . . 0.0 111.912 179.757 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.477 0.876 0 CA-C-N 111.738 -2.483 . . . . 0.0 106.729 179.167 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.241 0 O-C-N 127.52 3.379 . . . . 0.0 107.904 178.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.329 -0.495 0 CA-C-O 116.186 -1.673 . . . . 0.0 108.317 178.906 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.597 0 O-C-N 127.047 2.717 . . . . 0.0 112.179 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.291 -1.973 0 C-N-CA 126.705 2.002 . . . . 0.0 114.915 -174.508 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.675 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 175.001 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.285 0 O-C-N 124.877 1.361 . . . . 0.0 113.619 -175.738 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.255 1.385 0 CA-C-O 117.399 -1.286 . . . . 0.0 112.803 -179.426 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.304 0 CA-C-N 121.731 2.06 . . . . 0.0 114.944 179.616 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.311 -1.411 0 C-N-CA 122.138 1.892 . . . . 0.0 113.346 178.102 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.873 0 C-N-CA 129.752 3.221 . . . . 0.0 112.249 178.88 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.041 0 O-C-N 119.437 -2.039 . . . . 0.0 109.554 177.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.353 0 CA-C-O 115.573 -2.156 . . . . 0.0 109.235 179.727 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 127.445 2.966 . . . . 0.0 109.348 179.625 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.228 0 O-C-N 120.284 -1.51 . . . . 0.0 112.868 177.207 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-O 122.014 0.911 . . . . 0.0 113.334 179.014 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.26 0 C-N-CA 126.455 1.902 . . . . 0.0 109.302 179.717 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.787 0 O-C-N 125.084 1.49 . . . . 0.0 110.24 175.837 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.184 0 C-N-CA 127.093 2.157 . . . . 0.0 114.634 178.804 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 1.974 0 CA-C-O 117.112 -1.938 . . . . 0.0 112.371 178.474 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-N 118.118 0.959 . . . . 0.0 108.503 179.246 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 107.324 -1.361 . . . . 0.0 107.324 175.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.963 0 C-N-CA 123.936 0.895 . . . . 0.0 112.86 -179.527 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.486 0 N-CA-C 114.981 1.474 . . . . 0.0 114.981 -175.504 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.31 -1.109 0 C-N-CA 125.034 1.334 . . . . 0.0 108.093 175.052 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 177.224 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.928 0 CA-C-N 114.279 -1.328 . . . . 0.0 110.095 -179.883 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 115.995 -1.955 . . . . 0.0 112.342 178.771 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.572 0 C-N-CA 126.875 2.07 . . . . 0.0 116.563 -174.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.596 0 CA-C-O 122.768 1.27 . . . . 0.0 112.283 -178.911 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 122.35 2.033 . . . . 0.0 115.117 -179.515 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 177.637 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.422 0 N-CA-C 115.147 1.536 . . . . 0.0 115.147 178.377 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.11 0 O-C-N 118.361 -2.712 . . . . 0.0 114.618 -179.062 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.255 1.352 0 N-CA-C 115.967 1.839 . . . . 0.0 115.967 179.648 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.051 0 CA-C-N 120.306 1.145 . . . . 0.0 114.895 -179.616 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.262 1.025 . . . . 0.0 112.025 179.827 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 O-C-N 125.073 1.483 . . . . 0.0 111.453 -179.704 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.255 1.346 0 N-CA-C 116.88 2.178 . . . . 0.0 116.88 179.118 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 127.605 2.362 . . . . 0.0 115.613 -178.072 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.246 0.884 0 N-CA-C 117.144 2.276 . . . . 0.0 117.144 -178.586 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.066 0 CA-C-O 115.696 -2.724 . . . . 0.0 118.917 177.72 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.947 0 CA-C-N 124.152 3.976 . . . . 0.0 111.399 179.706 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-O 115.643 -2.122 . . . . 0.0 106.276 177.475 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.302 -1.497 0 O-C-N 125.515 1.76 . . . . 0.0 107.672 -178.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.49 0 O-C-N 125.762 1.914 . . . . 0.0 111.471 -179.678 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.304 -1.392 0 CA-C-O 122.064 0.935 . . . . 0.0 110.72 179.417 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.25 1.08 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 1.982 0 O-C-N 126.035 2.084 . . . . 0.0 116.171 -179.822 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.786 0 CA-C-O 117.933 -1.032 . . . . 0.0 112.594 -178.306 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 1.994 0 N-CA-C 107.787 -2.125 . . . . 0.0 107.787 -178.404 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 125.339 2.495 . . . . 0.0 112.702 -177.809 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.246 0.895 0 CA-C-N 110.902 -2.863 . . . . 0.0 110.43 179.232 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -1.002 0 O-C-N 126.375 2.297 . . . . 0.0 105.427 176.632 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.398 0 N-CA-C 117.814 2.524 . . . . 0.0 117.814 -176.539 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 178.785 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 103.846 -2.65 . . . . 0.0 103.846 177.021 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 CA-C-N 111.999 -2.364 . . . . 0.0 108.03 -179.317 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.335 0 N-CA-C 118.529 2.172 . . . . 0.0 118.529 -178.193 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.243 0.714 0 O-C-N 121.467 -1.02 . . . . 0.0 112.234 -179.662 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.632 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -177.205 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-O 124.242 1.972 . . . . 0.0 110.055 -179.781 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.894 0 CA-C-N 113.448 -1.705 . . . . 0.0 108.392 -178.382 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.463 0.475 0 CA-C-N 114.015 -1.448 . . . . 0.0 110.214 179.256 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 124.844 0.967 . . . . 0.0 110.013 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 1.0 0 CA-C-N 114.354 -1.294 . . . . 0.0 109.357 179.265 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.224 0 O-C-N 124.531 1.144 . . . . 0.0 110.158 178.908 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.84 0 N-CA-C 119.037 2.375 . . . . 0.0 119.037 -179.618 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.827 0 O-C-N 120.888 -1.36 . . . . 0.0 109.077 179.513 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 178.615 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.899 0 O-C-N 125.671 1.857 . . . . 0.0 110.214 179.131 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.319 0.58 . . . . 0.0 111.927 -179.186 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 115.711 -2.09 . . . . 0.0 108.783 -177.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.912 0 O-C-N 127.296 2.872 . . . . 0.0 110.394 178.692 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-O 117.685 -1.15 . . . . 0.0 109.62 -179.726 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 O-C-N 128.139 3.399 . . . . 0.0 112.86 -177.763 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.241 0 O-C-N 125.108 1.505 . . . . 0.0 111.726 -178.067 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 123.869 0.868 . . . . 0.0 110.211 178.202 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.971 0 N-CA-C 118.001 2.593 . . . . 0.0 118.001 175.673 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.311 -1.075 0 C-N-CA 124.083 0.953 . . . . 0.0 109.119 177.468 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 127.407 2.942 . . . . 0.0 111.346 -177.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 129.97 3.308 . . . . 0.0 108.98 178.314 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.246 0.89 0 O-C-N 126.743 2.527 . . . . 0.0 113.803 -178.127 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 115.309 1.596 . . . . 0.0 115.309 -178.445 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 124.781 1.301 . . . . 0.0 109.931 178.543 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 124.006 0.923 . . . . 0.0 109.2 179.015 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.861 0 C-N-CA 123.475 0.71 . . . . 0.0 112.7 -178.449 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-O 116.949 -1.5 . . . . 0.0 110.988 -177.833 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 CA-C-O 116.778 -1.582 . . . . 0.0 110.673 -176.939 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.165 0 CA-C-N 119.572 1.078 . . . . 0.0 112.847 -178.855 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 124.913 1.285 . . . . 0.0 111.699 -178.488 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 125.054 1.471 . . . . 0.0 108.292 -179.59 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 126.54 2.4 . . . . 0.0 111.61 -178.891 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 0.997 0 C-N-CA 120.174 -0.61 . . . . 0.0 110.506 177.558 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -177.795 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 125.621 1.568 . . . . 0.0 111.208 177.411 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.467 0.707 0 O-C-N 121.291 -0.88 . . . . 0.0 114.219 -179.401 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 179.183 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 119.81 -1.806 . . . . 0.0 109.623 -179.319 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 116.32 1.971 . . . . 0.0 116.32 -176.925 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.328 0 O-C-N 125.268 1.605 . . . . 0.0 110.303 -176.596 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 112.534 -2.121 . . . . 0.0 108.263 176.068 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 N-CA-C 104.496 -2.409 . . . . 0.0 104.496 178.509 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 125.403 1.689 . . . . 0.0 108.342 -177.724 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.291 0 O-C-N 125.894 1.996 . . . . 0.0 110.988 -175.565 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.462 0 O-C-N 126.302 2.738 . . . . 0.0 115.103 -176.546 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.504 0 O-C-N 120.4 -1.437 . . . . 0.0 113.779 177.716 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.256 1.397 0 N-CA-C 115.618 1.71 . . . . 0.0 115.618 -176.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.264 1.818 0 CA-C-O 115.103 -2.38 . . . . 0.0 112.804 -178.742 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.259 1.605 0 CA-C-N 120.932 1.696 . . . . 0.0 114.822 -177.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.045 0 C-N-CA 127.039 2.136 . . . . 0.0 111.227 -179.546 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.498 0 O-C-N 126.255 2.222 . . . . 0.0 110.461 -179.762 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 125.363 1.465 . . . . 0.0 107.054 177.923 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.722 0 C-N-CA 126.554 1.942 . . . . 0.0 112.62 178.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.169 0 CA-C-N 113.181 -1.827 . . . . 0.0 111.407 -177.654 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.309 -1.175 0 C-N-CA 123.869 0.868 . . . . 0.0 113.125 -179.141 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 104.161 -2.533 . . . . 0.0 104.161 177.436 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 104.846 -2.279 . . . . 0.0 104.846 178.649 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 128.438 3.586 . . . . 0.0 116.984 -175.603 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.316 0 N-CA-C 105.337 -3.105 . . . . 0.0 105.337 177.12 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.361 0 O-C-N 128.452 3.089 . . . . 0.0 106.53 179.83 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.244 0.776 0 C-N-CA 118.93 -1.108 . . . . 0.0 112.653 -177.609 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 177.562 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.819 0 CA-C-O 122.44 1.115 . . . . 0.0 108.061 176.464 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.447 -1.264 0 C-N-CA 121.487 1.458 . . . . 0.0 111.873 -179.731 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 176.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 105.335 -2.098 . . . . 0.0 105.335 177.519 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 122.775 1.274 . . . . 0.0 110.118 -176.934 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.25 1.128 0 CA-C-N 112.673 -2.058 . . . . 0.0 112.785 178.769 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.309 -1.194 0 CA-C-N 118.155 0.977 . . . . 0.0 110.742 179.558 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.962 0 O-C-N 123.49 1.258 . . . . 0.0 111.691 177.31 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.048 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 178.897 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.346 0 O-C-N 126.902 2.626 . . . . 0.0 112.21 -178.862 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.44 -1.674 0 N-CA-C 107.544 -1.752 . . . . 0.0 107.544 -179.927 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.947 0 O-C-N 128.082 3.364 . . . . 0.0 103.019 179.566 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 2.0 0 CA-C-O 115.996 -1.955 . . . . 0.0 108.815 179.394 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.544 1.856 0 N-CA-C 104.097 -3.601 . . . . 0.0 104.097 -179.506 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.533 0 CA-C-O 115.715 -2.088 . . . . 0.0 109.459 -177.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.733 0 N-CA-C 103.705 -2.702 . . . . 0.0 103.705 -179.323 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.498 -1.039 0 O-C-N 127.76 3.163 . . . . 0.0 113.515 -177.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 106.379 -1.711 . . . . 0.0 106.379 -178.102 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.501 2.986 0 O-C-N 126.295 2.247 . . . . 0.0 107.616 -179.171 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.194 -2.357 . . . . 0.0 110.271 -177.273 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--N 1.302 -1.486 0 N-CA-C 100.585 -3.858 . . . . 0.0 100.585 -174.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.304 0 CA-C-O 115.21 -2.079 . . . . 0.0 112.085 179.422 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.817 0 CA-C-N 120.756 1.616 . . . . 0.0 109.547 177.795 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.276 2.449 0 CA-C-N 112.858 -1.974 . . . . 0.0 110.555 178.333 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.296 0 O-C-N 120.924 -1.11 . . . . 0.0 110.43 178.573 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.151 0 O-C-N 125.802 1.939 . . . . 0.0 110.235 -178.352 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.101 0 O-C-N 127.014 2.696 . . . . 0.0 107.025 179.018 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.484 -1.569 0 CA-C-O 122.164 0.983 . . . . 0.0 112.881 177.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.887 0 O-C-N 117.484 -3.26 . . . . 0.0 114.584 179.644 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.812 0 O-C-N 125.598 1.811 . . . . 0.0 108.129 179.505 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.583 1 O-C-N 129.267 4.104 . . . . 0.0 109.734 179.204 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 120.072 -1.642 . . . . 0.0 111.882 179.075 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.519 0 C-N-CA 125.048 1.339 . . . . 0.0 112.749 178.766 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.288 -2.095 0 C-N-CA 128.053 2.74 . . . . 0.0 114.272 -179.106 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.269 0 C-N-CA 128.278 2.631 . . . . 0.0 111.492 -178.77 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 C-N-CA 117.569 -1.652 . . . . 0.0 107.354 179.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.085 0 CA-C-O 117.273 -1.346 . . . . 0.0 109.035 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.34 0 C-N-CA 122.928 2.419 . . . . 0.0 111.727 178.095 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 332' ' ' ASN . . . . . . . . . . . . . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 0.979 0 O-C-N 118.625 -2.547 . . . . 0.0 115.731 -177.451 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.053 0 C-N-CA 126.641 1.976 . . . . 0.0 110.938 178.839 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.931 0 C-N-CA 123.438 2.758 . . . . 0.0 115.484 177.872 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-N 121.285 1.857 . . . . 0.0 113.422 178.013 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 124.932 1.293 . . . . 0.0 108.024 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.832 0 C-N-CA 119.041 -1.063 . . . . 0.0 109.772 179.101 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.579 -0.7 . . . . 0.0 109.304 179.064 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 C--O 1.244 0.784 0 CA-C-N 114.263 -1.335 . . . . 0.0 109.714 179.861 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-N 119.617 1.099 . . . . 0.0 111.914 -177.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-O 117.114 -1.422 . . . . 0.0 111.862 -178.005 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 115.025 1.491 . . . . 0.0 115.025 -178.905 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.486 0 CA-C-N 114.58 -1.191 . . . . 0.0 109.161 179.771 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-O 124.839 2.257 . . . . 0.0 109.468 178.287 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.027 0 CA-C-N 112.721 -2.036 . . . . 0.0 111.311 178.738 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-N 121.113 1.779 . . . . 0.0 112.753 179.845 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.311 0 CA-C-O 118.428 -0.796 . . . . 0.0 112.3 -176.301 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 O-C-N 124.096 0.872 . . . . 0.0 109.117 -179.37 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-O 115.224 -2.322 . . . . 0.0 110.937 -178.153 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.219 0 O-C-N 127.613 3.07 . . . . 0.0 111.062 178.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.799 0 C-N-CA 127.403 2.281 . . . . 0.0 113.775 -177.176 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 125.941 2.025 . . . . 0.0 112.203 -179.913 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.255 1.433 0 CA-C-N 121.283 1.856 . . . . 0.0 114.779 179.841 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.566 0 C-N-CA 124.775 1.23 . . . . 0.0 111.418 179.565 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 178.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.216 0 N-CA-C 107.243 -1.391 . . . . 0.0 107.243 178.273 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.935 0 O-C-N 124.826 1.329 . . . . 0.0 110.065 -178.635 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-N 113.637 -1.62 . . . . 0.0 111.05 178.294 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.302 -1.473 0 C-N-CA 127.119 2.168 . . . . 0.0 112.52 -178.52 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 113.693 -1.594 . . . . 0.0 111.964 179.798 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.67 0 CA-C-O 116.8 -1.572 . . . . 0.0 111.688 -178.319 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 126.502 2.376 . . . . 0.0 107.56 178.887 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.437 -1.096 0 C-N-CA 126.43 1.892 . . . . 0.0 113.138 179.29 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.606 -179.203 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.308 -1.205 0 O-C-N 124.427 1.079 . . . . 0.0 108.196 178.124 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-O 116.578 -1.677 . . . . 0.0 112.113 179.07 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.257 1.499 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 -179.754 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 O-C-N 124.471 1.107 . . . . 0.0 111.109 -177.93 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.12 0 O-C-N 125.436 1.71 . . . . 0.0 111.373 -178.674 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.076 0 C-N-CA 127.278 2.231 . . . . 0.0 107.421 179.116 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 500' ' ' MXT . . . . . 0.918 ' O11' H232 ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 600' ' ' MXT . . . . . 0.426 ' O12' ' C22' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.553 ' N ' ' C11' ' A' ' 500' ' ' MXT . 43.4 t -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.325 0 O-C-N 125.664 1.852 . . . . 0.0 106.83 172.915 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.725 1 O-C-N 129.184 4.255 . . . . 0.0 107.935 -175.9 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.9 0 CA-C-N 120.998 1.726 . . . . 0.0 112.626 -179.158 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.502 2.165 0 CA-C-N 114.226 -1.352 . . . . 0.0 110.911 179.354 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.163 0 C-N-CA 126.947 2.099 . . . . 0.0 110.212 -177.718 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.452 0 O-C-N 120.868 -1.145 . . . . 0.0 109.844 -173.715 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.26 1.62 0 N-CA-C 105.932 -1.877 . . . . 0.0 105.932 -177.182 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 127.151 2.782 . . . . 0.0 107.79 -178.244 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.782 0 CA-C-O 115.454 -2.212 . . . . 0.0 106.422 176.95 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.544 1 O-C-N 130.651 4.97 . . . . 0.0 106.313 178.868 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.134 0 CA-C-O 113.753 -3.022 . . . . 0.0 105.858 -179.847 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.46 0 CA-C-N 121.109 1.777 . . . . 0.0 110.041 -177.782 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.783 0 O-C-N 125.866 1.978 . . . . 0.0 105.813 -176.606 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.254 1.326 0 O-C-N 127.497 2.998 . . . . 0.0 112.74 -176.319 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.961 0 O-C-N 127.231 2.832 . . . . 0.0 112.238 177.64 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 122.185 2.266 . . . . 0.0 111.876 -179.615 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.332 -0.186 0 O-C-N 126.626 2.454 . . . . 0.0 109.714 -174.915 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--O 1.243 0.752 0 C-N-CA 124.663 3.576 . . . . 0.0 111.946 179.735 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.832 0 CA-C-N 111.762 -2.472 . . . . 0.0 106.758 179.14 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.253 0 O-C-N 127.512 3.375 . . . . 0.0 107.918 178.956 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.329 -0.495 0 O-C-N 124.316 1.693 . . . . 0.0 108.307 178.875 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.426 -1.631 0 O-C-N 127.028 2.705 . . . . 0.0 112.172 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -2.007 0 C-N-CA 126.799 2.039 . . . . 0.0 114.96 -174.474 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.57 1.719 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 175.022 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 124.922 1.388 . . . . 0.0 113.656 -175.823 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.257 1.48 0 CA-C-O 117.372 -1.299 . . . . 0.0 112.755 -179.403 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.253 1.269 0 CA-C-N 121.809 2.095 . . . . 0.0 114.961 179.572 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.464 0 C-N-CA 122.176 1.917 . . . . 0.0 113.309 178.082 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.292 -1.893 0 C-N-CA 129.796 3.239 . . . . 0.0 112.278 178.871 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.043 0 O-C-N 119.439 -2.038 . . . . 0.0 109.522 177.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.559 1.301 0 CA-C-O 115.589 -2.148 . . . . 0.0 109.241 179.734 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 127.351 2.907 . . . . 0.0 109.374 179.563 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.212 0 O-C-N 120.284 -1.51 . . . . 0.0 112.891 177.211 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-O 122.045 0.926 . . . . 0.0 113.357 178.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.263 0 C-N-CA 126.504 1.922 . . . . 0.0 109.263 179.739 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.768 0 O-C-N 125.17 1.544 . . . . 0.0 110.256 175.878 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.149 0 C-N-CA 127.11 2.164 . . . . 0.0 114.619 178.789 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.012 0 CA-C-O 117.089 -1.951 . . . . 0.0 112.345 178.475 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-N 118.099 0.95 . . . . 0.0 108.513 179.283 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 107.243 -1.391 . . . . 0.0 107.243 176.022 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.953 0 C-N-CA 123.922 0.889 . . . . 0.0 112.896 -179.515 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.462 0 N-CA-C 114.99 1.478 . . . . 0.0 114.99 -175.544 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.31 -1.111 0 C-N-CA 125.047 1.339 . . . . 0.0 108.099 175.066 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 177.246 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.955 0 CA-C-N 114.264 -1.335 . . . . 0.0 110.091 -179.943 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-O 116.043 -1.932 . . . . 0.0 112.334 178.787 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.278 -2.536 0 N-CA-C 116.585 2.069 . . . . 0.0 116.585 -174.931 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.586 0 CA-C-O 122.717 1.246 . . . . 0.0 112.324 -178.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 122.358 2.038 . . . . 0.0 115.119 -179.533 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 177.649 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.408 0 N-CA-C 115.192 1.553 . . . . 0.0 115.192 178.337 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.114 0 O-C-N 118.304 -2.747 . . . . 0.0 114.628 -179.107 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.338 0 N-CA-C 115.992 1.849 . . . . 0.0 115.992 179.719 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.502 -1.08 0 CA-C-N 120.309 1.146 . . . . 0.0 114.862 -179.678 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.251 1.02 . . . . 0.0 112.05 179.852 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 O-C-N 125.099 1.499 . . . . 0.0 111.469 -179.74 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.341 0 N-CA-C 116.896 2.184 . . . . 0.0 116.896 179.155 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 127.626 2.37 . . . . 0.0 115.563 -178.066 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.84 0 N-CA-C 117.155 2.28 . . . . 0.0 117.155 -178.587 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.482 -2.015 0 CA-C-O 115.67 -2.739 . . . . 0.0 118.884 177.668 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.954 0 CA-C-N 124.132 3.966 . . . . 0.0 111.409 179.726 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-O 115.596 -2.145 . . . . 0.0 106.299 177.537 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.3 -1.546 0 O-C-N 125.514 1.759 . . . . 0.0 107.634 -179.009 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.256 1.44 0 O-C-N 125.809 1.943 . . . . 0.0 111.468 -179.61 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-O 122.063 0.935 . . . . 0.0 110.715 179.469 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.073 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 -179.933 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 2.01 0 O-C-N 125.989 2.055 . . . . 0.0 116.231 -179.809 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.788 0 CA-C-O 117.93 -1.033 . . . . 0.0 112.563 -178.265 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 1.973 0 N-CA-C 107.811 -2.116 . . . . 0.0 107.811 -178.416 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 125.344 2.497 . . . . 0.0 112.683 -177.823 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.246 0.871 0 CA-C-N 110.888 -2.869 . . . . 0.0 110.47 179.196 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -0.99 0 O-C-N 126.374 2.296 . . . . 0.0 105.417 176.66 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.399 0 N-CA-C 117.83 2.53 . . . . 0.0 117.83 -176.567 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 178.826 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 103.816 -2.661 . . . . 0.0 103.816 177.051 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 CA-C-N 112.03 -2.35 . . . . 0.0 108.056 -179.35 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.252 1.275 0 N-CA-C 118.525 2.17 . . . . 0.0 118.525 -178.213 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.679 0 O-C-N 121.438 -1.037 . . . . 0.0 112.277 -179.683 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.667 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -177.198 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.826 0 CA-C-O 124.212 1.958 . . . . 0.0 110.063 -179.821 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.895 0 CA-C-N 113.421 -1.718 . . . . 0.0 108.38 -178.373 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 C--N 1.318 -0.421 0 CA-C-N 114.081 -1.418 . . . . 0.0 110.222 179.255 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 124.777 0.928 . . . . 0.0 110.025 179.884 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 1.001 0 CA-C-N 114.391 -1.277 . . . . 0.0 109.33 179.306 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.216 0 O-C-N 124.544 1.152 . . . . 0.0 110.163 178.891 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.86 0 N-CA-C 119.043 2.377 . . . . 0.0 119.043 -179.653 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.841 0 O-C-N 120.885 -1.362 . . . . 0.0 109.097 179.506 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 107.115 -1.439 . . . . 0.0 107.115 178.571 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.266 1.935 0 O-C-N 125.666 1.854 . . . . 0.0 110.223 179.135 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.339 0.59 . . . . 0.0 111.897 -179.164 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 115.691 -2.099 . . . . 0.0 108.795 -177.947 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.904 0 O-C-N 127.258 2.849 . . . . 0.0 110.374 178.747 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-O 117.682 -1.152 . . . . 0.0 109.631 -179.772 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 O-C-N 128.141 3.4 . . . . 0.0 112.814 -177.726 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.28 0 O-C-N 125.183 1.552 . . . . 0.0 111.708 -178.025 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 123.878 0.871 . . . . 0.0 110.177 178.301 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 118.011 2.596 . . . . 0.0 118.011 175.681 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.311 -1.066 0 C-N-CA 124.088 0.955 . . . . 0.0 109.092 177.513 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 127.41 2.944 . . . . 0.0 111.348 -177.938 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.389 0 C-N-CA 130.027 3.331 . . . . 0.0 108.989 178.332 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.927 0 O-C-N 126.737 2.523 . . . . 0.0 113.78 -178.124 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 115.291 1.589 . . . . 0.0 115.291 -178.431 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 124.699 1.25 . . . . 0.0 109.918 178.546 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.303 -1.426 0 C-N-CA 124.024 0.93 . . . . 0.0 109.17 179.027 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 123.489 0.716 . . . . 0.0 112.73 -178.502 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-O 117.045 -1.455 . . . . 0.0 111.034 -177.863 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.645 0 CA-C-O 116.788 -1.577 . . . . 0.0 110.717 -176.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.147 0 CA-C-N 119.522 1.056 . . . . 0.0 112.813 -178.862 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 124.971 1.308 . . . . 0.0 111.668 -178.447 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 125.011 1.445 . . . . 0.0 108.33 -179.6 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 126.524 2.39 . . . . 0.0 111.604 -178.927 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.249 1.039 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.492 177.547 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 -177.746 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.503 0 C-N-CA 125.615 1.566 . . . . 0.0 111.258 177.384 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 C--O 1.243 0.668 0 O-C-N 121.296 -0.877 . . . . 0.0 114.258 -179.437 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.634 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 179.2 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 119.762 -1.837 . . . . 0.0 109.679 -179.4 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 116.354 1.983 . . . . 0.0 116.354 -176.929 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 125.276 1.61 . . . . 0.0 110.329 -176.614 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--O 1.211 -0.925 0 CA-C-N 112.588 -2.096 . . . . 0.0 108.281 176.021 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 N-CA-C 104.503 -2.406 . . . . 0.0 104.503 178.494 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 125.379 1.675 . . . . 0.0 108.279 -177.654 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.301 0 O-C-N 125.969 2.043 . . . . 0.0 110.965 -175.559 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.437 0 O-C-N 126.239 2.705 . . . . 0.0 115.04 -176.527 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.541 0 O-C-N 120.455 -1.403 . . . . 0.0 113.822 177.669 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.256 1.401 0 N-CA-C 115.627 1.714 . . . . 0.0 115.627 -176.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 115.06 -2.4 . . . . 0.0 112.779 -178.741 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.261 1.678 0 CA-C-N 120.915 1.689 . . . . 0.0 114.842 -178.002 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.311 -1.067 0 C-N-CA 127.025 2.13 . . . . 0.0 111.177 -179.534 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 O-C-N 126.267 2.229 . . . . 0.0 110.438 -179.698 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 125.336 1.455 . . . . 0.0 107.088 177.883 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.261 1.701 0 C-N-CA 126.615 1.966 . . . . 0.0 112.579 179.02 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.161 0 CA-C-N 113.187 -1.824 . . . . 0.0 111.394 -177.657 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.309 -1.181 0 C-N-CA 123.852 0.861 . . . . 0.0 113.145 -179.087 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 N-CA-C 104.162 -2.532 . . . . 0.0 104.162 177.428 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 104.825 -2.287 . . . . 0.0 104.825 178.655 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 128.536 3.647 . . . . 0.0 116.979 -175.63 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.584 4.348 0 N-CA-C 105.346 -3.102 . . . . 0.0 105.346 177.097 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.273 2.328 0 O-C-N 128.516 3.127 . . . . 0.0 106.555 179.82 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.817 0 C-N-CA 118.926 -1.11 . . . . 0.0 112.678 -177.59 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 177.562 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.244 0.802 0 CA-C-O 122.506 1.146 . . . . 0.0 108.084 176.423 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.265 0 C-N-CA 121.508 1.472 . . . . 0.0 111.858 -179.695 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 177.039 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 105.308 -2.108 . . . . 0.0 105.308 177.538 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 122.781 1.277 . . . . 0.0 110.135 -176.923 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.201 0 CA-C-N 112.686 -2.052 . . . . 0.0 112.759 179.3 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.215 0 CA-C-N 118.197 0.998 . . . . 0.0 110.723 179.82 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.453 -0.887 0 O-C-N 123.484 1.255 . . . . 0.0 111.66 177.276 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.024 0 N-CA-C 103.181 -2.896 . . . . 0.0 103.181 178.641 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.332 0 O-C-N 126.868 2.605 . . . . 0.0 112.25 -178.944 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.44 -1.67 0 N-CA-C 107.574 -1.741 . . . . 0.0 107.574 -178.781 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.941 0 O-C-N 128.108 3.38 . . . . 0.0 102.993 179.83 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 2.02 0 CA-C-O 115.966 -1.969 . . . . 0.0 108.82 -179.605 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 C--N 1.293 -1.839 0 N-CA-C 104.103 -3.599 . . . . 0.0 104.103 -179.678 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.545 0 CA-C-O 115.664 -2.112 . . . . 0.0 109.508 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.724 0 N-CA-C 103.719 -2.697 . . . . 0.0 103.719 -175.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.498 -1.05 0 O-C-N 127.76 3.163 . . . . 0.0 113.533 -176.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 -177.704 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.942 0 O-C-N 126.331 2.269 . . . . 0.0 107.603 -178.863 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 120.454 -1.615 . . . . 0.0 110.271 -179.011 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.255 1.352 0 N-CA-C 100.631 -3.84 . . . . 0.0 100.631 178.877 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 C--N 1.314 -1.26 0 CA-C-O 115.212 -2.078 . . . . 0.0 112.105 -179.531 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.817 0 CA-C-N 120.745 1.611 . . . . 0.0 109.604 177.756 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.276 2.449 0 CA-C-N 112.799 -2.0 . . . . 0.0 110.598 178.318 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.305 0 O-C-N 120.945 -1.097 . . . . 0.0 110.429 178.588 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.556 1.196 0 O-C-N 125.765 1.916 . . . . 0.0 110.267 -178.36 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.092 0 O-C-N 127.099 2.749 . . . . 0.0 107.036 178.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.597 0 CA-C-O 122.159 0.98 . . . . 0.0 112.892 177.916 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.921 0 O-C-N 117.473 -3.267 . . . . 0.0 114.553 179.715 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.571 1.768 0 O-C-N 125.574 1.796 . . . . 0.0 108.185 179.466 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.566 1 O-C-N 129.198 4.061 . . . . 0.0 109.783 179.167 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 120.033 -1.667 . . . . 0.0 111.837 179.089 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 125.137 1.375 . . . . 0.0 112.731 178.736 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.059 0 C-N-CA 128.002 2.715 . . . . 0.0 114.293 -178.877 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.273 2.305 0 C-N-CA 128.258 2.623 . . . . 0.0 111.499 -178.12 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 C-N-CA 117.63 -1.628 . . . . 0.0 107.413 179.686 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.287 -2.129 0 CA-C-O 117.254 -1.355 . . . . 0.0 109.0 179.364 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.332 0 C-N-CA 122.878 2.385 . . . . 0.0 111.744 179.73 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 332' ' ' ASN . . . . . . . . . . . . . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 0.988 0 O-C-N 118.718 -2.489 . . . . 0.0 115.701 -176.868 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.041 0 C-N-CA 126.669 1.988 . . . . 0.0 110.851 -179.67 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.962 0 C-N-CA 123.426 2.75 . . . . 0.0 115.462 177.902 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 121.331 1.878 . . . . 0.0 113.467 178.003 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 124.971 1.308 . . . . 0.0 108.041 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.84 0 C-N-CA 119.039 -1.064 . . . . 0.0 109.792 179.071 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.603 -0.686 . . . . 0.0 109.274 179.083 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 114.221 -1.354 . . . . 0.0 109.7 179.856 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 119.604 1.093 . . . . 0.0 111.977 -177.955 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-O 117.048 -1.453 . . . . 0.0 111.865 -178.026 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 -178.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.448 0 CA-C-N 114.583 -1.189 . . . . 0.0 109.165 179.72 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-O 124.842 2.258 . . . . 0.0 109.392 178.359 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.026 0 CA-C-N 112.754 -2.021 . . . . 0.0 111.306 178.81 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-N 121.141 1.791 . . . . 0.0 112.707 179.833 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.314 0 CA-C-O 118.414 -0.803 . . . . 0.0 112.252 -176.272 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.225 0 O-C-N 124.107 0.879 . . . . 0.0 109.098 -179.319 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-O 115.229 -2.32 . . . . 0.0 110.919 -178.114 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.237 0 O-C-N 127.588 3.055 . . . . 0.0 110.986 178.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.797 0 C-N-CA 127.45 2.3 . . . . 0.0 113.758 -177.137 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 125.967 2.042 . . . . 0.0 112.187 -179.884 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.349 0 CA-C-N 121.299 1.863 . . . . 0.0 114.844 179.859 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.59 0 C-N-CA 124.791 1.236 . . . . 0.0 111.417 179.591 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 107.126 -1.435 . . . . 0.0 107.126 178.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.209 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 178.161 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 O-C-N 124.797 1.311 . . . . 0.0 110.021 -178.633 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 113.658 -1.61 . . . . 0.0 111.05 178.334 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.522 0 C-N-CA 127.136 2.174 . . . . 0.0 112.562 -178.569 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 113.675 -1.602 . . . . 0.0 111.97 179.779 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-O 116.81 -1.567 . . . . 0.0 111.734 -178.33 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 126.483 2.364 . . . . 0.0 107.561 178.876 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.073 0 C-N-CA 126.423 1.889 . . . . 0.0 113.186 179.239 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.632 -179.238 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.195 0 O-C-N 124.434 1.084 . . . . 0.0 108.188 178.145 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-O 116.591 -1.671 . . . . 0.0 112.103 179.096 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.521 0 N-CA-C 115.894 1.813 . . . . 0.0 115.894 -179.739 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 O-C-N 124.478 1.111 . . . . 0.0 111.087 -177.926 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.128 0 O-C-N 125.437 1.71 . . . . 0.0 111.375 -178.636 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.092 0 C-N-CA 127.361 2.264 . . . . 0.0 107.433 179.108 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 500' ' ' MXT . . . . . 0.645 H232 ' O12' ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 600' ' ' MXT . . . . . 0.868 H232 ' O11' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.494 ' CA ' H122 ' A' ' 500' ' ' MXT . 0.0 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 1.287 ' N ' H122 ' A' ' 500' ' ' MXT . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.299 0 O-C-N 125.664 1.852 . . . . 0.0 106.864 170.657 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.767 1 O-C-N 129.199 4.263 . . . . 0.0 107.963 -176.283 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.9 0 CA-C-N 120.954 1.706 . . . . 0.0 112.587 -178.442 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.195 0 CA-C-N 114.221 -1.354 . . . . 0.0 110.926 -178.835 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.199 0 C-N-CA 126.953 2.101 . . . . 0.0 110.207 -177.915 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.256 1.435 0 O-C-N 120.85 -1.156 . . . . 0.0 109.836 179.233 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.553 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 -178.468 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 127.092 2.745 . . . . 0.0 107.822 179.257 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.786 0 CA-C-O 115.457 -2.211 . . . . 0.0 106.443 179.511 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.558 1 O-C-N 130.664 4.977 . . . . 0.0 106.287 177.347 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.126 0 CA-C-O 113.694 -3.051 . . . . 0.0 105.894 -179.831 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-N 121.205 1.821 . . . . 0.0 110.01 -177.759 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.802 0 O-C-N 125.885 1.991 . . . . 0.0 105.776 -176.62 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.391 0 O-C-N 127.525 3.015 . . . . 0.0 112.759 -176.376 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.265 1.911 0 O-C-N 127.254 2.846 . . . . 0.0 112.269 177.645 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.316 -0.89 0 O-C-N 119.091 -2.255 . . . . 0.0 111.899 -179.678 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.331 -0.215 0 O-C-N 126.652 2.47 . . . . 0.0 109.704 -174.852 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.73 0 C-N-CA 124.646 3.564 . . . . 0.0 111.952 179.735 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.84 0 CA-C-N 111.764 -2.471 . . . . 0.0 106.729 179.141 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.241 0 O-C-N 127.503 3.37 . . . . 0.0 107.91 178.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.329 -0.497 0 C-N-CA 121.836 1.691 . . . . 0.0 108.304 178.854 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.605 0 O-C-N 127.031 2.707 . . . . 0.0 112.178 179.916 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.984 0 C-N-CA 126.69 1.996 . . . . 0.0 114.915 -174.518 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.705 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 175.06 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 124.853 1.346 . . . . 0.0 113.629 -175.777 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.255 1.39 0 CA-C-O 117.475 -1.25 . . . . 0.0 112.8 -179.38 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.253 1.251 0 CA-C-N 121.691 2.041 . . . . 0.0 114.942 179.636 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.311 -1.427 0 C-N-CA 122.135 1.89 . . . . 0.0 113.315 178.148 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.292 -1.896 0 C-N-CA 129.763 3.225 . . . . 0.0 112.288 178.854 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.055 0 O-C-N 119.402 -2.061 . . . . 0.0 109.547 177.958 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.331 0 CA-C-O 115.594 -2.146 . . . . 0.0 109.235 179.749 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 127.356 2.91 . . . . 0.0 109.386 179.553 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.253 1.242 0 O-C-N 120.346 -1.471 . . . . 0.0 112.868 177.213 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-O 122.062 0.934 . . . . 0.0 113.356 179.044 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.24 0 C-N-CA 126.424 1.89 . . . . 0.0 109.276 179.716 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.776 0 O-C-N 125.13 1.519 . . . . 0.0 110.207 175.88 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.269 2.099 0 C-N-CA 127.099 2.16 . . . . 0.0 114.591 178.862 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 1.993 0 CA-C-O 117.093 -1.948 . . . . 0.0 112.383 178.484 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 118.093 0.946 . . . . 0.0 108.475 179.282 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 176.036 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.938 0 C-N-CA 123.946 0.899 . . . . 0.0 112.851 -179.521 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.256 1.442 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 -175.495 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.095 0 C-N-CA 125.01 1.324 . . . . 0.0 108.108 175.061 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 177.272 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.942 0 CA-C-N 114.326 -1.306 . . . . 0.0 110.104 -179.878 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-O 115.952 -1.975 . . . . 0.0 112.319 178.839 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.566 0 N-CA-C 116.548 2.055 . . . . 0.0 116.548 -174.895 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.594 0 CA-C-O 122.735 1.255 . . . . 0.0 112.275 -178.893 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 122.356 2.037 . . . . 0.0 115.139 -179.56 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 177.615 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.442 0 N-CA-C 115.173 1.546 . . . . 0.0 115.173 178.321 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.098 0 O-C-N 118.295 -2.753 . . . . 0.0 114.671 -179.11 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.293 0 N-CA-C 115.999 1.852 . . . . 0.0 115.999 179.68 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.025 0 CA-C-N 120.252 1.126 . . . . 0.0 114.828 -179.638 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.292 1.037 . . . . 0.0 112.015 179.903 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 O-C-N 125.081 1.488 . . . . 0.0 111.477 -179.742 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.294 0 N-CA-C 116.97 2.211 . . . . 0.0 116.97 179.088 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 127.584 2.354 . . . . 0.0 115.615 -178.091 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.246 0.87 0 N-CA-C 117.14 2.274 . . . . 0.0 117.14 -178.58 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.07 0 CA-C-O 115.66 -2.745 . . . . 0.0 118.853 177.674 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.957 0 CA-C-N 124.198 3.999 . . . . 0.0 111.375 179.736 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-O 115.609 -2.138 . . . . 0.0 106.29 177.47 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.528 0 O-C-N 125.517 1.76 . . . . 0.0 107.607 -178.937 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.258 1.505 0 O-C-N 125.755 1.909 . . . . 0.0 111.484 -179.633 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-O 122.04 0.924 . . . . 0.0 110.696 179.447 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.076 0 N-CA-C 106.778 -1.564 . . . . 0.0 106.778 -179.931 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.266 1.948 0 O-C-N 125.998 2.061 . . . . 0.0 116.25 -179.859 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.813 0 CA-C-O 117.932 -1.032 . . . . 0.0 112.581 -178.239 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.484 1.894 0 N-CA-C 107.836 -2.106 . . . . 0.0 107.836 -178.379 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 125.316 2.484 . . . . 0.0 112.709 -177.84 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.858 0 CA-C-N 110.897 -2.865 . . . . 0.0 110.401 179.231 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -0.994 0 O-C-N 126.398 2.311 . . . . 0.0 105.429 176.635 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.379 0 N-CA-C 117.777 2.51 . . . . 0.0 117.777 -176.49 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 178.784 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 103.821 -2.659 . . . . 0.0 103.821 177.026 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 CA-C-N 111.971 -2.377 . . . . 0.0 108.035 -179.348 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.297 0 N-CA-C 118.553 2.181 . . . . 0.0 118.553 -178.237 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.243 0.715 0 O-C-N 121.478 -1.013 . . . . 0.0 112.253 -179.666 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.644 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -177.167 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.845 0 CA-C-O 124.216 1.96 . . . . 0.0 110.048 -179.766 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.879 0 CA-C-N 113.441 -1.709 . . . . 0.0 108.356 -178.346 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.463 0.476 0 CA-C-N 114.012 -1.449 . . . . 0.0 110.143 179.323 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.328 -0.326 0 O-C-N 124.846 0.969 . . . . 0.0 110.05 179.898 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.981 0 CA-C-N 114.357 -1.292 . . . . 0.0 109.363 179.336 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.213 0 O-C-N 124.557 1.161 . . . . 0.0 110.222 178.856 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.844 0 N-CA-C 119.031 2.373 . . . . 0.0 119.031 -179.665 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.841 0 O-C-N 120.904 -1.351 . . . . 0.0 109.072 179.509 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 178.606 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.911 0 O-C-N 125.701 1.875 . . . . 0.0 110.223 179.162 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.321 0.581 . . . . 0.0 111.872 -179.164 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 115.699 -2.096 . . . . 0.0 108.794 -177.905 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.908 0 O-C-N 127.301 2.875 . . . . 0.0 110.398 178.693 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 117.658 -1.163 . . . . 0.0 109.613 -179.744 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 O-C-N 128.184 3.427 . . . . 0.0 112.832 -177.721 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.254 1.291 0 O-C-N 125.105 1.503 . . . . 0.0 111.729 -178.071 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 123.88 0.872 . . . . 0.0 110.178 178.289 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.94 0 N-CA-C 117.991 2.589 . . . . 0.0 117.991 175.659 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.065 0 C-N-CA 124.099 0.96 . . . . 0.0 109.08 177.53 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 127.438 2.961 . . . . 0.0 111.381 -177.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.407 0 C-N-CA 130.029 3.332 . . . . 0.0 108.994 178.317 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.937 0 O-C-N 126.735 2.522 . . . . 0.0 113.771 -178.092 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 115.283 1.586 . . . . 0.0 115.283 -178.413 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 124.708 1.255 . . . . 0.0 109.922 178.522 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.303 -1.444 0 C-N-CA 124.008 0.923 . . . . 0.0 109.182 179.025 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.89 0 C-N-CA 123.473 0.709 . . . . 0.0 112.68 -178.476 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-O 116.949 -1.501 . . . . 0.0 110.999 -177.835 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.679 0 CA-C-O 116.769 -1.586 . . . . 0.0 110.711 -176.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.252 1.202 0 CA-C-N 119.569 1.077 . . . . 0.0 112.88 -178.915 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 124.988 1.315 . . . . 0.0 111.686 -178.491 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 125.044 1.465 . . . . 0.0 108.302 -179.571 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 126.515 2.384 . . . . 0.0 111.642 -178.952 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.025 0 C-N-CA 120.155 -0.618 . . . . 0.0 110.484 177.591 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 -177.719 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 125.637 1.575 . . . . 0.0 111.251 177.39 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.466 0.656 0 O-C-N 121.295 -0.878 . . . . 0.0 114.245 -179.428 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 179.202 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 119.882 -1.762 . . . . 0.0 109.633 -179.339 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.44 -0.928 0 N-CA-C 116.386 1.995 . . . . 0.0 116.386 -176.948 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 125.308 1.63 . . . . 0.0 110.273 -176.687 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 112.514 -2.13 . . . . 0.0 108.332 176.014 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 N-CA-C 104.506 -2.405 . . . . 0.0 104.506 178.507 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 125.358 1.661 . . . . 0.0 108.303 -177.713 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.289 0 O-C-N 125.896 1.998 . . . . 0.0 110.957 -175.497 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.474 -2.482 0 O-C-N 126.248 2.709 . . . . 0.0 115.035 -176.524 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.522 0 O-C-N 120.434 -1.416 . . . . 0.0 113.847 177.664 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.256 1.398 0 N-CA-C 115.567 1.692 . . . . 0.0 115.567 -176.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.264 1.821 0 CA-C-O 115.105 -2.379 . . . . 0.0 112.785 -178.685 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.615 0 CA-C-N 120.885 1.675 . . . . 0.0 114.859 -178.0 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.044 0 C-N-CA 127.035 2.134 . . . . 0.0 111.196 -179.561 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 O-C-N 126.265 2.228 . . . . 0.0 110.445 -179.682 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 125.374 1.47 . . . . 0.0 107.101 177.813 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.711 0 C-N-CA 126.614 1.965 . . . . 0.0 112.58 179.032 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.252 1.201 0 CA-C-N 113.182 -1.826 . . . . 0.0 111.389 -177.691 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.144 0 C-N-CA 123.826 0.85 . . . . 0.0 113.175 -179.085 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 104.168 -2.53 . . . . 0.0 104.168 177.425 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 104.871 -2.27 . . . . 0.0 104.871 178.571 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 128.464 3.603 . . . . 0.0 117.018 -175.635 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.296 0 N-CA-C 105.307 -3.117 . . . . 0.0 105.307 177.069 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.273 2.316 0 O-C-N 128.509 3.123 . . . . 0.0 106.506 179.767 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.83 0 C-N-CA 118.971 -1.091 . . . . 0.0 112.746 -177.618 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.789 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 177.553 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.244 0.793 0 CA-C-O 122.449 1.118 . . . . 0.0 108.1 176.429 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 121.465 1.443 . . . . 0.0 111.898 -179.752 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 177.025 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 105.357 -2.09 . . . . 0.0 105.357 177.481 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 122.759 1.266 . . . . 0.0 110.073 -176.914 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.193 0 CA-C-N 112.639 -2.073 . . . . 0.0 112.808 179.018 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.309 -1.186 0 CA-C-N 118.196 0.998 . . . . 0.0 110.748 179.597 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.451 -0.977 0 O-C-N 123.505 1.266 . . . . 0.0 111.66 177.314 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 103.117 -2.92 . . . . 0.0 103.117 178.618 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.306 -1.31 0 O-C-N 126.862 2.601 . . . . 0.0 112.253 -178.886 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.44 -1.662 0 N-CA-C 107.574 -1.741 . . . . 0.0 107.574 -179.941 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.292 -1.925 0 O-C-N 128.066 3.354 . . . . 0.0 102.992 179.475 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.266 1.945 0 CA-C-O 116.014 -1.946 . . . . 0.0 108.806 178.835 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.544 1.876 0 N-CA-C 104.061 -3.616 . . . . 0.0 104.061 -178.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.513 0 CA-C-O 115.706 -2.093 . . . . 0.0 109.475 -178.939 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.737 0 N-CA-C 103.679 -2.712 . . . . 0.0 103.679 -178.628 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.092 0 O-C-N 127.744 3.152 . . . . 0.0 113.536 -179.107 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 -177.837 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.914 0 O-C-N 126.308 2.255 . . . . 0.0 107.621 -179.35 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.351 -2.264 . . . . 0.0 110.271 -177.55 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--N 1.305 -1.351 0 O-C-N 116.365 -3.96 . . . . 0.0 100.621 -173.123 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.317 0 CA-C-O 115.234 -2.069 . . . . 0.0 112.091 179.925 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.819 0 CA-C-N 120.7 1.591 . . . . 0.0 109.563 177.803 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.42 0 CA-C-N 112.789 -2.005 . . . . 0.0 110.61 178.305 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.292 0 O-C-N 120.912 -1.117 . . . . 0.0 110.467 178.518 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.556 1.201 0 O-C-N 125.861 1.976 . . . . 0.0 110.221 -178.321 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.07 0 O-C-N 127.057 2.723 . . . . 0.0 107.055 178.952 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.484 -1.592 0 CA-C-O 122.232 1.015 . . . . 0.0 112.94 177.896 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.44 -0.927 0 O-C-N 117.483 -3.261 . . . . 0.0 114.596 179.697 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.805 0 O-C-N 125.615 1.822 . . . . 0.0 108.146 179.484 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.582 1 O-C-N 129.285 4.116 . . . . 0.0 109.753 179.214 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 120.033 -1.667 . . . . 0.0 111.885 179.024 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 125.134 1.374 . . . . 0.0 112.77 178.738 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.29 -2.006 0 C-N-CA 127.968 2.699 . . . . 0.0 114.354 -178.798 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.281 0 C-N-CA 128.232 2.613 . . . . 0.0 111.489 -178.775 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 C-N-CA 117.597 -1.641 . . . . 0.0 107.394 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.287 -2.12 0 CA-C-O 117.262 -1.352 . . . . 0.0 109.011 179.906 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 N--CA 1.49 1.31 0 C-N-CA 122.854 2.37 . . . . 0.0 111.725 179.349 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 332' ' ' ASN . . . . . . . . . . . . . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.026 0 O-C-N 118.682 -2.511 . . . . 0.0 115.686 -178.068 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.041 0 C-N-CA 126.613 1.965 . . . . 0.0 110.903 -179.112 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.942 0 C-N-CA 123.37 2.713 . . . . 0.0 115.545 179.053 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-N 121.277 1.853 . . . . 0.0 113.417 177.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.803 0 C-N-CA 124.976 1.31 . . . . 0.0 108.014 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.834 0 C-N-CA 119.086 -1.046 . . . . 0.0 109.748 179.102 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.585 -0.697 . . . . 0.0 109.304 179.108 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-N 114.214 -1.357 . . . . 0.0 109.763 179.831 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 119.612 1.096 . . . . 0.0 111.941 -178.004 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 117.061 -1.447 . . . . 0.0 111.82 -178.01 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 -178.945 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.45 0 CA-C-N 114.57 -1.196 . . . . 0.0 109.19 179.724 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-O 124.888 2.28 . . . . 0.0 109.45 178.278 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.497 -1.064 0 CA-C-N 112.745 -2.025 . . . . 0.0 111.333 178.756 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.725 0 CA-C-N 121.155 1.798 . . . . 0.0 112.749 179.858 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.29 0 CA-C-O 118.428 -0.796 . . . . 0.0 112.272 -176.314 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 O-C-N 124.061 0.851 . . . . 0.0 109.066 -179.331 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-O 115.178 -2.344 . . . . 0.0 110.858 -178.077 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.235 0 O-C-N 127.556 3.035 . . . . 0.0 111.057 178.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.773 0 C-N-CA 127.32 2.248 . . . . 0.0 113.751 -177.122 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 125.927 2.017 . . . . 0.0 112.221 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.255 1.42 0 CA-C-N 121.275 1.852 . . . . 0.0 114.817 179.84 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.581 0 C-N-CA 124.812 1.245 . . . . 0.0 111.422 179.571 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 107.151 -1.426 . . . . 0.0 107.151 178.928 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.307 -1.243 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 178.256 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 O-C-N 124.823 1.327 . . . . 0.0 110.043 -178.623 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 113.663 -1.608 . . . . 0.0 111.023 178.338 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 127.125 2.17 . . . . 0.0 112.531 -178.566 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 113.735 -1.575 . . . . 0.0 111.966 179.766 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.241 0.652 0 CA-C-O 116.792 -1.575 . . . . 0.0 111.724 -178.292 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 126.501 2.376 . . . . 0.0 107.569 178.883 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 C--N 1.313 -1.013 0 C-N-CA 126.372 1.869 . . . . 0.0 113.124 179.23 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.625 -179.19 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.308 -1.198 0 O-C-N 124.429 1.081 . . . . 0.0 108.218 178.116 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-O 116.524 -1.703 . . . . 0.0 112.101 179.038 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.511 0 N-CA-C 115.868 1.803 . . . . 0.0 115.868 -179.721 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 O-C-N 124.433 1.083 . . . . 0.0 111.146 -177.928 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.133 0 O-C-N 125.441 1.713 . . . . 0.0 111.361 -178.68 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.089 0 C-N-CA 127.306 2.242 . . . . 0.0 107.421 179.128 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 500' ' ' MXT . . . . . 1.287 H122 ' N ' ' A' ' 42' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 600' ' ' MXT . . . . . 0.461 H222 ' O12' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.542 ' CA ' H121 ' A' ' 500' ' ' MXT . 0.5 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.31 0 O-C-N 125.664 1.852 . . . . 0.0 106.838 164.205 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.73 1 O-C-N 129.14 4.231 . . . . 0.0 107.988 -171.311 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.937 0 CA-C-N 121.017 1.735 . . . . 0.0 112.663 -178.85 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.186 0 CA-C-N 114.25 -1.341 . . . . 0.0 110.95 -176.084 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.198 0 C-N-CA 126.979 2.112 . . . . 0.0 110.262 -175.606 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.463 0 O-C-N 120.888 -1.133 . . . . 0.0 109.84 179.629 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.601 0 N-CA-C 105.943 -1.873 . . . . 0.0 105.943 -176.776 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 127.128 2.767 . . . . 0.0 107.803 177.281 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.57 1.748 0 CA-C-O 115.417 -2.23 . . . . 0.0 106.488 179.352 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.511 2.579 1 O-C-N 130.692 4.995 . . . . 0.0 106.294 177.156 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.091 0 CA-C-O 113.731 -3.033 . . . . 0.0 105.875 -179.861 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-N 121.108 1.777 . . . . 0.0 110.068 -177.787 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.783 0 O-C-N 125.904 2.003 . . . . 0.0 105.826 -176.67 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.377 0 O-C-N 127.512 3.008 . . . . 0.0 112.802 -176.38 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.267 2.001 0 O-C-N 127.18 2.8 . . . . 0.0 112.269 177.615 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.926 0 O-C-N 119.044 -2.285 . . . . 0.0 111.896 -179.687 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.331 -0.203 0 O-C-N 126.658 2.474 . . . . 0.0 109.743 -174.904 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.325 -0.701 0 C-N-CA 124.689 3.593 . . . . 0.0 111.935 179.73 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.833 0 CA-C-N 111.682 -2.508 . . . . 0.0 106.762 179.175 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.237 0 O-C-N 127.486 3.361 . . . . 0.0 107.936 179.0 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.538 0 C-N-CA 121.859 1.706 . . . . 0.0 108.3 178.877 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.622 0 O-C-N 127.081 2.738 . . . . 0.0 112.127 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.291 -1.961 0 C-N-CA 126.794 2.038 . . . . 0.0 114.955 -174.499 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.698 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 175.02 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 124.913 1.383 . . . . 0.0 113.629 -175.826 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.446 0 CA-C-O 117.409 -1.281 . . . . 0.0 112.746 -179.363 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.313 0 CA-C-N 121.752 2.069 . . . . 0.0 114.949 179.598 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.463 0 C-N-CA 122.175 1.916 . . . . 0.0 113.294 178.09 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.915 0 C-N-CA 129.784 3.234 . . . . 0.0 112.309 178.87 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.311 -1.073 0 O-C-N 119.407 -2.058 . . . . 0.0 109.541 177.944 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.337 0 CA-C-O 115.573 -2.156 . . . . 0.0 109.239 179.716 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 127.406 2.941 . . . . 0.0 109.38 179.592 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.253 1.266 0 O-C-N 120.31 -1.493 . . . . 0.0 112.838 177.219 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-O 122.06 0.934 . . . . 0.0 113.354 179.037 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.251 0 C-N-CA 126.453 1.901 . . . . 0.0 109.256 179.776 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.766 0 O-C-N 125.12 1.512 . . . . 0.0 110.244 175.856 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.269 2.13 0 C-N-CA 127.107 2.163 . . . . 0.0 114.593 178.828 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.012 0 CA-C-O 117.094 -1.948 . . . . 0.0 112.36 178.456 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-N 118.119 0.96 . . . . 0.0 108.486 179.279 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 176.036 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.246 0.915 0 C-N-CA 123.923 0.889 . . . . 0.0 112.851 -179.493 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.464 0 N-CA-C 114.996 1.48 . . . . 0.0 114.996 -175.548 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.095 0 C-N-CA 125.059 1.344 . . . . 0.0 108.121 175.092 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 177.254 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.21 -0.982 0 CA-C-N 114.288 -1.324 . . . . 0.0 110.094 -179.912 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-O 115.985 -1.96 . . . . 0.0 112.295 178.844 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.587 0 N-CA-C 116.581 2.067 . . . . 0.0 116.581 -174.941 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.613 0 CA-C-O 122.764 1.268 . . . . 0.0 112.29 -178.926 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 122.4 2.067 . . . . 0.0 115.138 -179.576 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 107.502 -1.296 . . . . 0.0 107.502 177.627 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.405 0 N-CA-C 115.198 1.555 . . . . 0.0 115.198 178.299 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.497 -1.096 0 O-C-N 118.382 -2.699 . . . . 0.0 114.636 -179.093 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.322 0 N-CA-C 115.94 1.83 . . . . 0.0 115.94 179.689 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.058 0 CA-C-N 120.314 1.148 . . . . 0.0 114.863 -179.6 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.274 1.03 . . . . 0.0 111.996 179.886 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 O-C-N 125.07 1.482 . . . . 0.0 111.477 -179.753 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.342 0 N-CA-C 116.965 2.209 . . . . 0.0 116.965 179.069 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 127.645 2.378 . . . . 0.0 115.565 -178.097 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.862 0 N-CA-C 117.123 2.268 . . . . 0.0 117.123 -178.548 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.482 -2.022 0 CA-C-O 115.671 -2.738 . . . . 0.0 118.831 177.646 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.969 0 CA-C-N 124.197 3.998 . . . . 0.0 111.366 179.696 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-O 115.607 -2.14 . . . . 0.0 106.236 177.501 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.509 0 O-C-N 125.546 1.779 . . . . 0.0 107.682 -179.029 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.45 0 O-C-N 125.761 1.913 . . . . 0.0 111.485 -179.685 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-O 122.086 0.946 . . . . 0.0 110.712 179.479 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.027 0 N-CA-C 106.748 -1.575 . . . . 0.0 106.748 -179.91 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.266 1.953 0 O-C-N 126.045 2.09 . . . . 0.0 116.228 -179.835 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.789 0 CA-C-O 117.902 -1.047 . . . . 0.0 112.59 -178.27 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 1.999 0 N-CA-C 107.808 -2.117 . . . . 0.0 107.808 -178.406 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 125.354 2.502 . . . . 0.0 112.662 -177.818 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.825 0 CA-C-N 110.864 -2.88 . . . . 0.0 110.465 179.17 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -0.99 0 O-C-N 126.41 2.319 . . . . 0.0 105.424 176.657 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.395 0 N-CA-C 117.824 2.527 . . . . 0.0 117.824 -176.578 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 178.85 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 103.814 -2.661 . . . . 0.0 103.814 177.043 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 CA-C-N 112.012 -2.358 . . . . 0.0 108.01 -179.281 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.344 0 N-CA-C 118.532 2.173 . . . . 0.0 118.532 -178.247 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.662 0 O-C-N 121.465 -1.021 . . . . 0.0 112.253 -179.652 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.649 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -177.198 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.858 0 CA-C-O 124.218 1.961 . . . . 0.0 110.061 -179.814 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.247 0.924 0 CA-C-N 113.396 -1.729 . . . . 0.0 108.408 -178.445 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.464 0.517 0 CA-C-N 114.033 -1.44 . . . . 0.0 110.203 179.278 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 124.83 0.959 . . . . 0.0 110.008 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.994 0 CA-C-N 114.353 -1.294 . . . . 0.0 109.311 179.34 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.201 0 O-C-N 124.563 1.165 . . . . 0.0 110.2 178.878 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.838 0 N-CA-C 119.05 2.38 . . . . 0.0 119.05 -179.617 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.214 -0.814 0 O-C-N 120.837 -1.39 . . . . 0.0 109.084 179.45 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.308 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 178.657 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.903 0 O-C-N 125.618 1.824 . . . . 0.0 110.227 179.13 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.317 0.579 . . . . 0.0 111.9 -179.199 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 115.727 -2.083 . . . . 0.0 108.803 -177.904 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.909 0 O-C-N 127.312 2.882 . . . . 0.0 110.357 178.745 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 117.675 -1.155 . . . . 0.0 109.532 -179.651 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 O-C-N 128.156 3.41 . . . . 0.0 112.824 -177.714 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.246 0 O-C-N 125.159 1.537 . . . . 0.0 111.769 -178.068 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 123.88 0.872 . . . . 0.0 110.199 178.248 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.292 -1.906 0 N-CA-C 118.085 2.624 . . . . 0.0 118.085 175.7 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.311 -1.074 0 C-N-CA 124.134 0.974 . . . . 0.0 109.081 177.51 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 127.424 2.952 . . . . 0.0 111.363 -177.88 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.305 -1.361 0 C-N-CA 130.019 3.328 . . . . 0.0 108.993 178.297 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.246 0.918 0 O-C-N 126.716 2.51 . . . . 0.0 113.748 -178.135 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 115.284 1.586 . . . . 0.0 115.284 -178.435 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 124.719 1.262 . . . . 0.0 109.924 178.516 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.383 0 C-N-CA 123.985 0.914 . . . . 0.0 109.165 179.028 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 123.508 0.723 . . . . 0.0 112.708 -178.467 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-O 116.976 -1.488 . . . . 0.0 110.993 -177.854 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 CA-C-O 116.737 -1.601 . . . . 0.0 110.729 -176.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.252 1.185 0 CA-C-N 119.552 1.069 . . . . 0.0 112.849 -178.914 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 124.959 1.304 . . . . 0.0 111.69 -178.459 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 125.06 1.475 . . . . 0.0 108.292 -179.615 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.295 -1.769 0 O-C-N 126.59 2.431 . . . . 0.0 111.624 -178.939 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.249 1.049 0 C-N-CA 120.149 -0.621 . . . . 0.0 110.484 177.534 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -177.719 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.524 0 C-N-CA 125.629 1.571 . . . . 0.0 111.228 177.408 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.466 0.674 0 O-C-N 121.319 -0.863 . . . . 0.0 114.255 -179.409 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.613 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 179.235 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.652 0 O-C-N 119.773 -1.829 . . . . 0.0 109.686 -179.326 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.895 0 N-CA-C 116.362 1.986 . . . . 0.0 116.362 -176.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 125.293 1.621 . . . . 0.0 110.304 -176.618 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 112.542 -2.117 . . . . 0.0 108.3 176.018 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 N-CA-C 104.506 -2.405 . . . . 0.0 104.506 178.456 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 125.417 1.698 . . . . 0.0 108.268 -177.702 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.304 -1.244 0 O-C-N 125.895 1.997 . . . . 0.0 110.959 -175.579 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.443 0 O-C-N 126.298 2.736 . . . . 0.0 115.02 -176.465 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.522 0 O-C-N 120.384 -1.448 . . . . 0.0 113.784 177.716 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.386 0 N-CA-C 115.582 1.697 . . . . 0.0 115.582 -176.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 115.091 -2.385 . . . . 0.0 112.769 -178.702 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.653 0 CA-C-N 120.909 1.686 . . . . 0.0 114.879 -177.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.037 0 C-N-CA 127.075 2.15 . . . . 0.0 111.23 -179.574 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 O-C-N 126.208 2.192 . . . . 0.0 110.468 -179.772 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 125.368 1.467 . . . . 0.0 107.088 177.885 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.261 1.705 0 C-N-CA 126.52 1.928 . . . . 0.0 112.658 179.005 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.172 0 CA-C-N 113.164 -1.834 . . . . 0.0 111.455 -177.768 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.309 -1.189 0 C-N-CA 123.853 0.861 . . . . 0.0 113.17 -179.119 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 104.117 -2.549 . . . . 0.0 104.117 177.451 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 104.849 -2.278 . . . . 0.0 104.849 178.63 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 128.496 3.622 . . . . 0.0 116.973 -175.598 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.331 0 N-CA-C 105.315 -3.114 . . . . 0.0 105.315 177.073 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.366 0 O-C-N 128.516 3.127 . . . . 0.0 106.544 179.757 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.839 0 C-N-CA 118.985 -1.086 . . . . 0.0 112.724 -177.646 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.775 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 177.518 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.244 0.805 0 CA-C-O 122.455 1.121 . . . . 0.0 108.078 176.455 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.289 0 C-N-CA 121.469 1.446 . . . . 0.0 111.903 -179.741 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 177.049 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 105.304 -2.11 . . . . 0.0 105.304 177.505 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 122.781 1.277 . . . . 0.0 110.098 -176.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.25 1.156 0 CA-C-N 112.692 -2.049 . . . . 0.0 112.815 179.848 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.309 -1.196 0 CA-C-N 118.132 0.966 . . . . 0.0 110.747 179.905 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.95 0 O-C-N 123.477 1.251 . . . . 0.0 111.672 177.069 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.035 0 N-CA-C 103.194 -2.891 . . . . 0.0 103.194 178.703 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.338 0 O-C-N 126.836 2.585 . . . . 0.0 112.232 -178.913 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.44 -1.675 0 N-CA-C 107.595 -1.733 . . . . 0.0 107.595 -179.456 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.292 -1.934 0 O-C-N 128.056 3.348 . . . . 0.0 103.038 179.176 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.997 0 CA-C-O 115.994 -1.955 . . . . 0.0 108.79 -179.799 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.544 1.872 0 N-CA-C 104.055 -3.618 . . . . 0.0 104.055 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.516 0 CA-C-O 115.728 -2.082 . . . . 0.0 109.457 -178.314 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.714 0 N-CA-C 103.725 -2.694 . . . . 0.0 103.725 -179.296 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.068 0 O-C-N 127.773 3.171 . . . . 0.0 113.486 -179.739 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 -176.752 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.501 2.972 0 O-C-N 126.303 2.252 . . . . 0.0 107.649 179.858 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 118.18 -2.953 . . . . 0.0 110.271 -177.191 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.326 0 N-CA-C 100.625 -3.843 . . . . 0.0 100.625 -173.031 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.299 0 CA-C-O 115.224 -2.074 . . . . 0.0 112.097 175.661 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.272 -2.795 0 CA-C-N 120.718 1.599 . . . . 0.0 109.614 177.733 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.276 2.465 0 CA-C-N 112.852 -1.977 . . . . 0.0 110.591 178.316 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.309 0 O-C-N 120.927 -1.108 . . . . 0.0 110.436 178.551 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.556 1.192 0 O-C-N 125.82 1.95 . . . . 0.0 110.257 -178.346 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.289 -2.048 0 O-C-N 127.066 2.729 . . . . 0.0 107.054 178.954 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.484 -1.584 0 CA-C-O 122.176 0.989 . . . . 0.0 112.913 177.908 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.88 0 O-C-N 117.5 -3.25 . . . . 0.0 114.573 179.664 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.571 1.78 0 O-C-N 125.632 1.832 . . . . 0.0 108.114 179.544 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.57 1 O-C-N 129.206 4.066 . . . . 0.0 109.77 179.214 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 120.085 -1.635 . . . . 0.0 111.833 179.054 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.509 0 C-N-CA 125.113 1.365 . . . . 0.0 112.784 178.736 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.072 0 C-N-CA 127.989 2.709 . . . . 0.0 114.323 177.914 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.273 2.308 0 C-N-CA 128.298 2.639 . . . . 0.0 111.548 179.923 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 C-N-CA 117.623 -1.631 . . . . 0.0 107.403 178.706 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.095 0 CA-C-O 117.293 -1.337 . . . . 0.0 108.989 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 122.857 2.371 . . . . 0.0 111.769 177.893 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 332' ' ' ASN . . . . . . . . . . . . . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.249 1.039 0 O-C-N 118.68 -2.512 . . . . 0.0 115.683 -177.175 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.047 0 C-N-CA 126.6 1.96 . . . . 0.0 110.916 175.736 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.506 -0.922 0 C-N-CA 123.402 2.735 . . . . 0.0 115.516 178.456 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.298 -1.657 0 CA-C-N 121.262 1.847 . . . . 0.0 113.442 178.014 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 124.994 1.318 . . . . 0.0 108.03 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.844 0 C-N-CA 119.066 -1.054 . . . . 0.0 109.768 179.105 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.609 -0.682 . . . . 0.0 109.287 179.112 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 C--O 1.243 0.746 0 CA-C-N 114.272 -1.331 . . . . 0.0 109.73 179.839 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-N 119.567 1.076 . . . . 0.0 111.957 -177.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-O 117.015 -1.469 . . . . 0.0 111.822 -178.024 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 115.072 1.508 . . . . 0.0 115.072 -178.944 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.474 0 CA-C-N 114.518 -1.219 . . . . 0.0 109.174 179.768 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-O 124.844 2.259 . . . . 0.0 109.39 178.307 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.499 -1.007 0 CA-C-N 112.78 -2.009 . . . . 0.0 111.295 178.768 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-N 121.099 1.772 . . . . 0.0 112.724 179.879 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.253 1.289 0 CA-C-O 118.438 -0.792 . . . . 0.0 112.24 -176.274 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 O-C-N 124.119 0.887 . . . . 0.0 109.086 -179.304 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-O 115.254 -2.308 . . . . 0.0 110.907 -178.119 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.222 0 O-C-N 127.521 3.013 . . . . 0.0 111.011 178.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.8 0 C-N-CA 127.381 2.272 . . . . 0.0 113.759 -177.138 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 126.005 2.066 . . . . 0.0 112.2 -179.929 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.255 1.421 0 CA-C-N 121.339 1.881 . . . . 0.0 114.844 179.868 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.26 1.606 0 C-N-CA 124.845 1.258 . . . . 0.0 111.38 179.572 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 178.938 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 178.26 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 O-C-N 124.82 1.325 . . . . 0.0 110.057 -178.68 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-N 113.613 -1.631 . . . . 0.0 111.043 178.321 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.528 0 C-N-CA 127.194 2.197 . . . . 0.0 112.513 -178.581 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 113.698 -1.592 . . . . 0.0 111.976 179.805 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-O 116.76 -1.591 . . . . 0.0 111.684 -178.304 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 126.549 2.405 . . . . 0.0 107.545 178.855 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.043 0 C-N-CA 126.439 1.895 . . . . 0.0 113.146 179.262 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.624 -179.195 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 124.398 1.061 . . . . 0.0 108.232 178.112 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-O 116.543 -1.694 . . . . 0.0 112.138 179.037 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.257 1.467 0 N-CA-C 115.898 1.814 . . . . 0.0 115.898 -179.721 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 O-C-N 124.478 1.111 . . . . 0.0 111.118 -177.96 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.309 -1.156 0 O-C-N 125.423 1.702 . . . . 0.0 111.383 -178.665 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.058 0 C-N-CA 127.265 2.226 . . . . 0.0 107.437 179.154 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 500' ' ' MXT . . . . . 0.912 ' O11' H232 ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 600' ' ' MXT . . . . . 0.76 ' O12' H232 ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.924 ' H ' ' C11' ' A' ' 500' ' ' MXT . 25.8 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.299 0 O-C-N 125.664 1.852 . . . . 0.0 106.887 170.657 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.745 1 O-C-N 129.198 4.262 . . . . 0.0 107.997 -176.56 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.938 0 CA-C-N 121.021 1.737 . . . . 0.0 112.668 -178.467 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.193 0 CA-C-N 114.221 -1.354 . . . . 0.0 110.885 -177.384 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.154 0 C-N-CA 126.958 2.103 . . . . 0.0 110.226 -176.78 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.456 0 O-C-N 120.929 -1.107 . . . . 0.0 109.835 177.562 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.577 0 N-CA-C 105.914 -1.884 . . . . 0.0 105.914 -176.217 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 127.155 2.784 . . . . 0.0 107.839 178.036 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.765 0 CA-C-O 115.5 -2.191 . . . . 0.0 106.394 177.58 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.56 1 O-C-N 130.657 4.973 . . . . 0.0 106.316 177.352 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.133 0 CA-C-O 113.7 -3.048 . . . . 0.0 105.846 -179.804 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.489 1.482 0 CA-C-N 121.128 1.785 . . . . 0.0 110.018 -177.773 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 125.907 2.004 . . . . 0.0 105.827 -176.627 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.363 0 O-C-N 127.542 3.026 . . . . 0.0 112.746 -176.332 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.961 0 O-C-N 127.267 2.855 . . . . 0.0 112.256 177.62 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 122.146 2.248 . . . . 0.0 111.94 -179.669 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.331 -0.198 0 O-C-N 126.631 2.457 . . . . 0.0 109.714 -174.915 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.714 0 C-N-CA 124.657 3.571 . . . . 0.0 111.936 179.72 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.477 0.876 0 CA-C-N 111.753 -2.476 . . . . 0.0 106.722 179.163 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.239 0 O-C-N 127.52 3.379 . . . . 0.0 107.902 178.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.523 0 C-N-CA 121.85 1.7 . . . . 0.0 108.281 178.885 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.595 0 O-C-N 127.07 2.732 . . . . 0.0 112.137 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.989 0 C-N-CA 126.741 2.016 . . . . 0.0 114.89 -174.47 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.689 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 174.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.287 0 O-C-N 124.872 1.357 . . . . 0.0 113.659 -175.848 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.436 0 CA-C-O 117.405 -1.283 . . . . 0.0 112.794 -179.413 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.306 0 CA-C-N 121.729 2.059 . . . . 0.0 114.962 179.533 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.492 0 C-N-CA 122.181 1.92 . . . . 0.0 113.268 178.119 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.292 -1.892 0 C-N-CA 129.797 3.239 . . . . 0.0 112.282 178.889 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.311 -1.081 0 O-C-N 119.431 -2.043 . . . . 0.0 109.469 178.006 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.559 1.319 0 CA-C-O 115.594 -2.146 . . . . 0.0 109.206 179.744 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 127.36 2.913 . . . . 0.0 109.372 179.627 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.204 0 O-C-N 120.272 -1.517 . . . . 0.0 112.889 177.185 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 122.047 0.927 . . . . 0.0 113.375 179.044 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.259 0 C-N-CA 126.475 1.91 . . . . 0.0 109.26 179.728 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.787 0 O-C-N 125.095 1.497 . . . . 0.0 110.232 175.883 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.171 0 C-N-CA 127.062 2.145 . . . . 0.0 114.588 178.812 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 1.974 0 CA-C-O 117.135 -1.925 . . . . 0.0 112.398 178.482 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-N 118.108 0.954 . . . . 0.0 108.477 179.287 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 176.005 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.948 0 C-N-CA 123.894 0.878 . . . . 0.0 112.858 -179.47 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.46 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 -175.498 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.31 -1.117 0 C-N-CA 125.071 1.348 . . . . 0.0 108.072 175.083 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 177.194 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.927 0 CA-C-N 114.31 -1.314 . . . . 0.0 110.105 -179.914 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-O 115.984 -1.96 . . . . 0.0 112.361 178.797 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.571 0 N-CA-C 116.563 2.061 . . . . 0.0 116.563 -174.894 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.602 0 CA-C-O 122.687 1.232 . . . . 0.0 112.345 -178.928 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.448 -1.188 0 C-N-CA 122.378 2.052 . . . . 0.0 115.125 -179.571 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 177.627 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.425 0 N-CA-C 115.172 1.545 . . . . 0.0 115.172 178.338 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.113 0 O-C-N 118.297 -2.752 . . . . 0.0 114.637 -179.063 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.255 1.349 0 N-CA-C 115.915 1.82 . . . . 0.0 115.915 179.719 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.055 0 CA-C-N 120.316 1.149 . . . . 0.0 114.829 -179.609 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.286 1.034 . . . . 0.0 112.003 179.897 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 O-C-N 125.165 1.541 . . . . 0.0 111.481 -179.712 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.255 1.354 0 N-CA-C 116.882 2.178 . . . . 0.0 116.882 179.093 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 127.574 2.35 . . . . 0.0 115.653 -178.081 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.246 0.896 0 N-CA-C 117.079 2.251 . . . . 0.0 117.079 -178.55 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.051 0 CA-C-O 115.656 -2.747 . . . . 0.0 118.849 177.634 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.969 0 CA-C-N 124.199 4.0 . . . . 0.0 111.366 179.704 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-O 115.647 -2.121 . . . . 0.0 106.224 177.581 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.302 -1.499 0 O-C-N 125.513 1.758 . . . . 0.0 107.645 -179.038 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.483 0 O-C-N 125.715 1.884 . . . . 0.0 111.484 -179.661 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-O 122.104 0.954 . . . . 0.0 110.742 179.456 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.077 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 -179.859 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 2.014 0 O-C-N 126.044 2.09 . . . . 0.0 116.166 -179.769 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.765 0 CA-C-O 117.972 -1.013 . . . . 0.0 112.609 -178.265 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 2.003 0 N-CA-C 107.786 -2.126 . . . . 0.0 107.786 -178.431 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 125.325 2.488 . . . . 0.0 112.664 -177.831 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.837 0 CA-C-N 110.928 -2.851 . . . . 0.0 110.387 179.232 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 126.395 2.309 . . . . 0.0 105.402 176.647 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.4 0 N-CA-C 117.828 2.529 . . . . 0.0 117.828 -176.552 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.838 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 103.83 -2.656 . . . . 0.0 103.83 177.085 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 CA-C-N 112.015 -2.357 . . . . 0.0 108.036 -179.323 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.334 0 N-CA-C 118.583 2.193 . . . . 0.0 118.583 -178.24 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.241 0.648 0 O-C-N 121.494 -1.004 . . . . 0.0 112.253 -179.645 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.675 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -177.164 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.86 0 CA-C-O 124.251 1.977 . . . . 0.0 110.055 -179.782 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.245 0.855 0 CA-C-N 113.412 -1.722 . . . . 0.0 108.423 -178.425 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.463 0.455 0 CA-C-N 114.049 -1.432 . . . . 0.0 110.154 179.281 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 124.796 0.939 . . . . 0.0 110.048 179.887 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 1.01 0 CA-C-N 114.373 -1.285 . . . . 0.0 109.354 179.325 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.187 0 O-C-N 124.53 1.144 . . . . 0.0 110.189 178.877 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.831 0 N-CA-C 119.049 2.38 . . . . 0.0 119.049 -179.68 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 120.896 -1.355 . . . . 0.0 109.101 179.505 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 178.598 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.264 1.852 0 O-C-N 125.699 1.874 . . . . 0.0 110.307 179.103 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.351 0.596 . . . . 0.0 111.927 -179.187 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 115.743 -2.075 . . . . 0.0 108.812 -177.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.899 0 O-C-N 127.23 2.831 . . . . 0.0 110.331 178.775 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 117.639 -1.172 . . . . 0.0 109.55 -179.69 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 O-C-N 128.198 3.436 . . . . 0.0 112.873 -177.722 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.242 0 O-C-N 125.132 1.52 . . . . 0.0 111.718 -178.075 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 123.895 0.878 . . . . 0.0 110.178 178.281 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.943 0 N-CA-C 118.057 2.614 . . . . 0.0 118.057 175.724 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.046 0 C-N-CA 124.12 0.968 . . . . 0.0 109.116 177.46 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 127.407 2.942 . . . . 0.0 111.418 -177.957 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 129.958 3.303 . . . . 0.0 108.972 178.324 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.246 0.92 0 O-C-N 126.798 2.561 . . . . 0.0 113.761 -178.111 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 115.294 1.59 . . . . 0.0 115.294 -178.488 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 124.725 1.266 . . . . 0.0 109.879 178.543 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.303 -1.436 0 C-N-CA 124.035 0.934 . . . . 0.0 109.219 178.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 123.471 0.708 . . . . 0.0 112.741 -178.507 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-O 116.981 -1.485 . . . . 0.0 110.963 -177.819 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.678 0 CA-C-O 116.777 -1.582 . . . . 0.0 110.679 -176.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.16 0 CA-C-N 119.559 1.072 . . . . 0.0 112.798 -178.809 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 124.945 1.298 . . . . 0.0 111.73 -178.519 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 125.013 1.446 . . . . 0.0 108.274 -179.57 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 126.537 2.398 . . . . 0.0 111.591 -178.941 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.017 0 C-N-CA 120.199 -0.6 . . . . 0.0 110.531 177.552 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 -177.744 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.524 0 C-N-CA 125.591 1.557 . . . . 0.0 111.269 177.378 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 C--O 1.243 0.671 0 O-C-N 121.291 -0.88 . . . . 0.0 114.275 -179.434 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 113.283 0.846 . . . . 0.0 113.283 179.205 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 119.754 -1.841 . . . . 0.0 109.652 -179.305 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 116.313 1.968 . . . . 0.0 116.313 -176.917 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 125.328 1.643 . . . . 0.0 110.332 -176.64 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 112.573 -2.103 . . . . 0.0 108.277 176.029 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 N-CA-C 104.462 -2.421 . . . . 0.0 104.462 178.475 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 125.349 1.656 . . . . 0.0 108.285 -177.684 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.288 0 O-C-N 125.884 1.99 . . . . 0.0 110.988 -175.557 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.471 0 O-C-N 126.256 2.713 . . . . 0.0 115.053 -176.55 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.531 0 O-C-N 120.396 -1.44 . . . . 0.0 113.828 177.709 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.365 0 N-CA-C 115.607 1.706 . . . . 0.0 115.607 -176.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.264 1.818 0 CA-C-O 115.081 -2.39 . . . . 0.0 112.785 -178.703 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.626 0 CA-C-N 120.915 1.689 . . . . 0.0 114.86 -178.031 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.032 0 C-N-CA 126.99 2.116 . . . . 0.0 111.191 -179.528 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 O-C-N 126.248 2.218 . . . . 0.0 110.451 -179.741 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 125.376 1.47 . . . . 0.0 107.09 177.863 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.728 0 C-N-CA 126.56 1.944 . . . . 0.0 112.603 179.013 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.167 0 CA-C-N 113.176 -1.829 . . . . 0.0 111.4 -177.659 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.151 0 C-N-CA 123.822 0.849 . . . . 0.0 113.18 -179.099 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 104.148 -2.538 . . . . 0.0 104.148 177.419 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 104.842 -2.281 . . . . 0.0 104.842 178.609 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 128.501 3.625 . . . . 0.0 117.008 -175.637 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.584 4.354 0 N-CA-C 105.304 -3.119 . . . . 0.0 105.304 177.048 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.273 2.329 0 O-C-N 128.484 3.108 . . . . 0.0 106.495 179.792 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.244 0.811 0 C-N-CA 118.942 -1.103 . . . . 0.0 112.726 -177.675 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.77 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 177.564 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.843 0 CA-C-O 122.418 1.104 . . . . 0.0 108.111 176.442 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.447 -1.262 0 C-N-CA 121.485 1.457 . . . . 0.0 111.897 -179.769 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 177.01 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 105.359 -2.089 . . . . 0.0 105.359 177.481 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 122.747 1.261 . . . . 0.0 110.055 -176.939 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.157 0 CA-C-N 112.705 -2.043 . . . . 0.0 112.796 -178.436 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.208 0 CA-C-N 118.158 0.979 . . . . 0.0 110.733 -179.537 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.938 0 O-C-N 123.477 1.251 . . . . 0.0 111.659 177.298 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 103.165 -2.902 . . . . 0.0 103.165 178.498 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.344 0 O-C-N 126.882 2.614 . . . . 0.0 112.21 -178.446 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.687 0 N-CA-C 107.578 -1.739 . . . . 0.0 107.578 178.412 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.292 -1.934 0 O-C-N 128.104 3.377 . . . . 0.0 102.958 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.998 0 CA-C-O 115.982 -1.961 . . . . 0.0 108.839 -176.476 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.544 1.867 0 N-CA-C 104.044 -3.622 . . . . 0.0 104.044 178.252 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.513 0 CA-C-O 115.722 -2.085 . . . . 0.0 109.477 -177.895 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.718 0 N-CA-C 103.698 -2.704 . . . . 0.0 103.698 -179.366 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.072 0 O-C-N 127.748 3.155 . . . . 0.0 113.496 -177.169 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 106.356 -1.72 . . . . 0.0 106.356 -178.719 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.934 0 O-C-N 126.244 2.215 . . . . 0.0 107.629 -178.893 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 120.0 -1.882 . . . . 0.0 110.271 -177.066 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.253 1.277 0 N-CA-C 100.625 -3.843 . . . . 0.0 100.625 -179.37 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.316 0 CA-C-O 115.27 -2.054 . . . . 0.0 112.123 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.272 -2.779 0 CA-C-N 120.643 1.565 . . . . 0.0 109.559 177.794 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.423 0 CA-C-N 112.848 -1.978 . . . . 0.0 110.58 178.341 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.307 0 O-C-N 120.909 -1.119 . . . . 0.0 110.424 178.566 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.556 1.178 0 O-C-N 125.816 1.947 . . . . 0.0 110.276 -178.321 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.077 0 O-C-N 127.09 2.744 . . . . 0.0 107.052 178.914 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.609 0 CA-C-O 122.188 0.994 . . . . 0.0 112.957 177.875 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.919 0 O-C-N 117.47 -3.268 . . . . 0.0 114.583 179.668 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.803 0 O-C-N 125.609 1.818 . . . . 0.0 108.153 179.473 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.299 -1.595 1 O-C-N 129.257 4.098 . . . . 0.0 109.749 179.185 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 120.016 -1.678 . . . . 0.0 111.837 179.116 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.302 -1.5 0 C-N-CA 125.101 1.36 . . . . 0.0 112.747 178.715 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.049 0 C-N-CA 127.995 2.712 . . . . 0.0 114.328 -178.891 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.257 0 C-N-CA 128.256 2.622 . . . . 0.0 111.52 -179.67 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 C-N-CA 117.583 -1.647 . . . . 0.0 107.361 179.317 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.107 0 CA-C-O 117.292 -1.337 . . . . 0.0 108.991 -179.328 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.298 0 C-N-CA 122.837 2.358 . . . . 0.0 111.723 178.152 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 332' ' ' ASN . . . . . . . . . . . . . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.019 0 O-C-N 118.685 -2.51 . . . . 0.0 115.68 -178.714 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.311 -1.073 0 C-N-CA 126.612 1.965 . . . . 0.0 110.926 179.697 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.948 0 C-N-CA 123.453 2.768 . . . . 0.0 115.497 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-N 121.299 1.863 . . . . 0.0 113.401 178.057 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 124.951 1.3 . . . . 0.0 108.007 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.86 0 C-N-CA 119.007 -1.077 . . . . 0.0 109.76 179.111 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.567 -0.708 . . . . 0.0 109.339 179.063 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 114.194 -1.366 . . . . 0.0 109.753 179.819 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 119.556 1.071 . . . . 0.0 111.96 -177.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-O 117.075 -1.441 . . . . 0.0 111.895 -178.043 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 115.08 1.511 . . . . 0.0 115.08 -178.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.256 1.447 0 CA-C-N 114.495 -1.23 . . . . 0.0 109.199 179.735 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 124.859 2.266 . . . . 0.0 109.398 178.327 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.499 -1.008 0 CA-C-N 112.73 -2.032 . . . . 0.0 111.311 178.819 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.725 0 CA-C-N 121.141 1.791 . . . . 0.0 112.781 179.818 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.322 0 CA-C-O 118.424 -0.798 . . . . 0.0 112.268 -176.342 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 O-C-N 124.072 0.858 . . . . 0.0 109.085 -179.293 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-O 115.231 -2.319 . . . . 0.0 110.928 -178.153 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.213 0 O-C-N 127.585 3.053 . . . . 0.0 111.036 178.957 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.294 -1.811 0 C-N-CA 127.363 2.265 . . . . 0.0 113.794 -177.167 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 125.995 2.059 . . . . 0.0 112.22 -179.942 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.379 0 CA-C-N 121.314 1.87 . . . . 0.0 114.82 179.838 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.258 1.547 0 C-N-CA 124.779 1.231 . . . . 0.0 111.391 179.589 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 178.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.2 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 178.224 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 O-C-N 124.82 1.325 . . . . 0.0 110.026 -178.638 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-N 113.681 -1.6 . . . . 0.0 110.992 178.364 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.536 0 C-N-CA 127.138 2.175 . . . . 0.0 112.559 -178.546 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 113.692 -1.595 . . . . 0.0 111.968 179.774 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-O 116.728 -1.606 . . . . 0.0 111.704 -178.341 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 126.553 2.408 . . . . 0.0 107.577 178.89 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.048 0 C-N-CA 126.388 1.875 . . . . 0.0 113.125 179.29 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.631 -179.247 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.19 0 O-C-N 124.412 1.07 . . . . 0.0 108.208 178.13 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 116.585 -1.674 . . . . 0.0 112.121 179.075 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.257 1.497 0 N-CA-C 115.934 1.827 . . . . 0.0 115.934 -179.784 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.662 0 O-C-N 124.463 1.102 . . . . 0.0 111.106 -177.913 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.112 0 O-C-N 125.458 1.724 . . . . 0.0 111.35 -178.658 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.062 0 C-N-CA 127.316 2.247 . . . . 0.0 107.406 179.166 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 500' ' ' MXT . . . . . 0.924 ' C11' ' H ' ' A' ' 41' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 600' ' ' MXT . . . . . 0.65 H232 ' O11' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.595 ' N ' ' O12' ' A' ' 500' ' ' MXT . 0.3 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.424 ' N ' ' O12' ' A' ' 500' ' ' MXT . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.299 0 O-C-N 125.664 1.852 . . . . 0.0 106.872 171.459 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.751 1 O-C-N 129.234 4.281 . . . . 0.0 107.983 -174.727 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.913 0 CA-C-N 121.042 1.747 . . . . 0.0 112.641 -179.071 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.187 0 CA-C-N 114.227 -1.352 . . . . 0.0 110.906 179.685 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.191 0 C-N-CA 126.99 2.116 . . . . 0.0 110.195 -177.376 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.256 1.407 0 O-C-N 120.963 -1.086 . . . . 0.0 109.823 -172.583 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.585 0 N-CA-C 105.924 -1.88 . . . . 0.0 105.924 -177.413 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 127.149 2.78 . . . . 0.0 107.847 179.67 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.772 0 CA-C-O 115.442 -2.218 . . . . 0.0 106.443 178.162 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.558 1 O-C-N 130.706 5.004 . . . . 0.0 106.322 177.567 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.13 0 CA-C-O 113.701 -3.047 . . . . 0.0 105.817 -179.778 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.489 1.486 0 CA-C-N 121.128 1.786 . . . . 0.0 110.012 -177.78 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 125.909 2.006 . . . . 0.0 105.762 -176.601 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 127.537 3.023 . . . . 0.0 112.726 -176.371 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.267 1.986 0 O-C-N 127.239 2.837 . . . . 0.0 112.217 177.667 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 122.188 2.267 . . . . 0.0 111.954 -179.691 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.331 -0.212 0 O-C-N 126.607 2.442 . . . . 0.0 109.738 -174.949 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.751 0 C-N-CA 124.702 3.601 . . . . 0.0 111.957 179.72 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.475 0.824 0 CA-C-N 111.705 -2.498 . . . . 0.0 106.761 179.119 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.25 0 O-C-N 127.49 3.363 . . . . 0.0 107.891 178.961 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.329 -0.473 0 C-N-CA 121.83 1.687 . . . . 0.0 108.344 178.829 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.588 0 O-C-N 127.091 2.745 . . . . 0.0 112.143 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -2.006 0 C-N-CA 126.73 2.012 . . . . 0.0 114.89 -174.46 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.707 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 174.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 124.905 1.378 . . . . 0.0 113.643 -175.782 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.432 0 CA-C-O 117.389 -1.291 . . . . 0.0 112.787 -179.428 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.297 0 CA-C-N 121.763 2.074 . . . . 0.0 114.905 179.62 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.467 0 C-N-CA 122.208 1.939 . . . . 0.0 113.299 178.104 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.878 0 C-N-CA 129.795 3.238 . . . . 0.0 112.258 178.899 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.06 0 O-C-N 119.422 -2.049 . . . . 0.0 109.549 177.961 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.334 0 CA-C-O 115.59 -2.147 . . . . 0.0 109.209 179.693 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 127.384 2.928 . . . . 0.0 109.408 179.615 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.253 1.246 0 O-C-N 120.285 -1.509 . . . . 0.0 112.932 177.129 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-O 122.019 0.914 . . . . 0.0 113.36 179.034 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.256 0 C-N-CA 126.424 1.89 . . . . 0.0 109.263 179.702 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.766 0 O-C-N 125.138 1.524 . . . . 0.0 110.272 175.873 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.137 0 C-N-CA 127.085 2.154 . . . . 0.0 114.621 178.807 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 1.977 0 CA-C-O 117.106 -1.941 . . . . 0.0 112.354 178.45 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 118.147 0.973 . . . . 0.0 108.493 179.297 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 107.286 -1.376 . . . . 0.0 107.286 175.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.921 0 C-N-CA 123.985 0.914 . . . . 0.0 112.86 -179.52 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.483 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 -175.529 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.086 0 C-N-CA 125.058 1.343 . . . . 0.0 108.083 175.077 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 177.227 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.933 0 CA-C-N 114.322 -1.308 . . . . 0.0 110.104 -179.912 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-O 116.005 -1.95 . . . . 0.0 112.317 178.807 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.544 0 N-CA-C 116.557 2.058 . . . . 0.0 116.557 -174.874 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.608 0 CA-C-O 122.793 1.282 . . . . 0.0 112.327 -178.935 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 122.386 2.058 . . . . 0.0 115.15 -179.533 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 177.613 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.43 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 178.341 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.098 0 O-C-N 118.3 -2.75 . . . . 0.0 114.619 -179.056 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.302 0 N-CA-C 115.974 1.842 . . . . 0.0 115.974 179.662 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.045 0 CA-C-N 120.322 1.151 . . . . 0.0 114.9 -179.653 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.22 1.008 . . . . 0.0 112.069 179.837 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 O-C-N 125.12 1.512 . . . . 0.0 111.494 -179.765 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.319 0 N-CA-C 116.942 2.201 . . . . 0.0 116.942 179.094 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 127.638 2.375 . . . . 0.0 115.546 -178.126 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.826 0 N-CA-C 117.143 2.275 . . . . 0.0 117.143 -178.54 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.071 0 CA-C-O 115.701 -2.722 . . . . 0.0 118.862 177.657 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.952 0 CA-C-N 124.185 3.993 . . . . 0.0 111.38 179.697 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-O 115.648 -2.12 . . . . 0.0 106.307 177.481 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.302 -1.481 0 O-C-N 125.496 1.747 . . . . 0.0 107.65 -178.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.477 0 O-C-N 125.812 1.945 . . . . 0.0 111.479 -179.647 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-O 122.078 0.942 . . . . 0.0 110.732 179.42 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.029 0 N-CA-C 106.722 -1.584 . . . . 0.0 106.722 -179.883 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 1.993 0 O-C-N 126.018 2.074 . . . . 0.0 116.21 -179.823 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.777 0 CA-C-O 117.891 -1.052 . . . . 0.0 112.568 -178.279 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.485 1.933 0 N-CA-C 107.824 -2.11 . . . . 0.0 107.824 -178.384 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 125.329 2.49 . . . . 0.0 112.685 -177.832 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.246 0.874 0 CA-C-N 110.883 -2.871 . . . . 0.0 110.429 179.227 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -0.997 0 O-C-N 126.395 2.309 . . . . 0.0 105.416 176.636 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.363 0 N-CA-C 117.787 2.514 . . . . 0.0 117.787 -176.528 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 178.775 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 103.848 -2.649 . . . . 0.0 103.848 177.057 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 CA-C-N 112.051 -2.341 . . . . 0.0 108.026 -179.262 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.252 1.261 0 N-CA-C 118.514 2.166 . . . . 0.0 118.514 -178.212 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.243 0.725 0 O-C-N 121.523 -0.986 . . . . 0.0 112.236 -179.686 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.648 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -177.2 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.836 0 CA-C-O 124.218 1.961 . . . . 0.0 110.079 -179.807 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.901 0 CA-C-N 113.463 -1.698 . . . . 0.0 108.353 -178.374 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 C--N 1.318 -0.47 0 CA-C-N 114.057 -1.429 . . . . 0.0 110.162 179.294 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 124.822 0.954 . . . . 0.0 110.048 179.926 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.975 0 CA-C-N 114.327 -1.306 . . . . 0.0 109.335 179.318 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.484 1.249 0 O-C-N 124.514 1.134 . . . . 0.0 110.163 178.896 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.849 0 N-CA-C 119.04 2.376 . . . . 0.0 119.04 -179.657 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.816 0 O-C-N 120.908 -1.349 . . . . 0.0 109.117 179.48 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 107.068 -1.456 . . . . 0.0 107.068 178.629 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.919 0 O-C-N 125.704 1.877 . . . . 0.0 110.279 179.175 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.315 0.578 . . . . 0.0 111.838 -179.201 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 115.72 -2.086 . . . . 0.0 108.802 -177.9 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.903 0 O-C-N 127.227 2.83 . . . . 0.0 110.378 178.729 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 117.672 -1.156 . . . . 0.0 109.553 -179.702 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 O-C-N 128.133 3.396 . . . . 0.0 112.847 -177.739 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.278 0 O-C-N 125.132 1.52 . . . . 0.0 111.7 -178.037 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 123.868 0.867 . . . . 0.0 110.201 178.266 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 118.021 2.6 . . . . 0.0 118.021 175.709 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.044 0 C-N-CA 124.058 0.943 . . . . 0.0 109.073 177.47 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 127.481 2.988 . . . . 0.0 111.362 -177.938 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.387 0 C-N-CA 129.999 3.32 . . . . 0.0 109.017 178.242 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.959 0 O-C-N 126.736 2.522 . . . . 0.0 113.75 -178.131 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 115.266 1.58 . . . . 0.0 115.266 -178.411 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 124.723 1.264 . . . . 0.0 109.939 178.518 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.303 -1.429 0 C-N-CA 124.006 0.922 . . . . 0.0 109.197 178.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 123.465 0.706 . . . . 0.0 112.694 -178.461 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-O 116.979 -1.486 . . . . 0.0 111.003 -177.836 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 CA-C-O 116.779 -1.581 . . . . 0.0 110.701 -176.935 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.252 1.185 0 CA-C-N 119.557 1.071 . . . . 0.0 112.845 -178.878 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 124.954 1.302 . . . . 0.0 111.697 -178.47 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 125.038 1.462 . . . . 0.0 108.3 -179.633 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 126.526 2.391 . . . . 0.0 111.643 -178.959 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.249 1.031 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.486 177.579 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.297 -1.713 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -177.739 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 125.706 1.602 . . . . 0.0 111.258 177.412 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 C--O 1.243 0.679 0 O-C-N 121.269 -0.894 . . . . 0.0 114.24 -179.418 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.613 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 179.229 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 119.842 -1.787 . . . . 0.0 109.657 -179.32 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 116.362 1.986 . . . . 0.0 116.362 -176.945 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 125.204 1.565 . . . . 0.0 110.301 -176.644 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--O 1.212 -0.896 0 CA-C-N 112.498 -2.137 . . . . 0.0 108.311 175.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 N-CA-C 104.483 -2.414 . . . . 0.0 104.483 178.493 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 125.437 1.711 . . . . 0.0 108.27 -177.664 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.251 0 O-C-N 125.856 1.973 . . . . 0.0 110.973 -175.542 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.474 -2.482 0 O-C-N 126.311 2.743 . . . . 0.0 115.029 -176.505 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.516 0 O-C-N 120.367 -1.458 . . . . 0.0 113.802 177.727 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.362 0 N-CA-C 115.632 1.716 . . . . 0.0 115.632 -176.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.264 1.823 0 CA-C-O 115.088 -2.387 . . . . 0.0 112.774 -178.738 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.618 0 CA-C-N 120.888 1.676 . . . . 0.0 114.783 -177.948 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.063 0 C-N-CA 127.018 2.127 . . . . 0.0 111.199 -179.511 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.463 0 O-C-N 126.263 2.227 . . . . 0.0 110.412 -179.72 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 125.363 1.465 . . . . 0.0 107.069 177.892 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.743 0 C-N-CA 126.598 1.959 . . . . 0.0 112.598 179.043 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.168 0 CA-C-N 113.185 -1.825 . . . . 0.0 111.41 -177.69 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.309 -1.172 0 C-N-CA 123.852 0.861 . . . . 0.0 113.193 -179.041 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 104.131 -2.544 . . . . 0.0 104.131 177.466 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 104.874 -2.269 . . . . 0.0 104.874 178.627 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 128.522 3.638 . . . . 0.0 116.979 -175.592 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.584 4.381 0 N-CA-C 105.329 -3.108 . . . . 0.0 105.329 177.046 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.351 0 O-C-N 128.541 3.142 . . . . 0.0 106.536 179.768 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.858 0 C-N-CA 118.975 -1.09 . . . . 0.0 112.744 -177.632 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.771 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.543 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.853 0 CA-C-O 122.465 1.126 . . . . 0.0 108.111 176.433 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.293 0 C-N-CA 121.497 1.465 . . . . 0.0 111.873 -179.685 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 176.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 105.358 -2.09 . . . . 0.0 105.358 177.468 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 122.802 1.287 . . . . 0.0 110.123 -176.888 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.202 0 CA-C-N 112.651 -2.068 . . . . 0.0 112.779 179.62 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.223 0 CA-C-N 118.185 0.993 . . . . 0.0 110.74 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.453 -0.909 0 O-C-N 123.49 1.258 . . . . 0.0 111.624 176.798 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 103.174 -2.899 . . . . 0.0 103.174 178.693 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.349 0 O-C-N 126.801 2.563 . . . . 0.0 112.233 -178.915 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.681 0 N-CA-C 107.547 -1.751 . . . . 0.0 107.547 -179.214 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.95 0 O-C-N 128.146 3.404 . . . . 0.0 103.037 179.844 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.999 0 CA-C-O 116.01 -1.948 . . . . 0.0 108.823 -178.725 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.544 1.867 0 N-CA-C 104.078 -3.609 . . . . 0.0 104.078 178.81 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.524 0 CA-C-O 115.67 -2.11 . . . . 0.0 109.507 -179.426 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.716 0 N-CA-C 103.715 -2.698 . . . . 0.0 103.715 -176.611 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.063 0 O-C-N 127.726 3.141 . . . . 0.0 113.51 -177.343 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 106.339 -1.726 . . . . 0.0 106.339 -178.368 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.908 0 O-C-N 126.26 2.225 . . . . 0.0 107.623 -178.703 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 120.712 -1.463 . . . . 0.0 110.271 179.706 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.255 1.357 0 N-CA-C 100.653 -3.832 . . . . 0.0 100.653 177.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.291 0 CA-C-O 115.211 -2.079 . . . . 0.0 112.092 179.748 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.272 -2.799 0 CA-C-N 120.724 1.602 . . . . 0.0 109.565 177.78 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.43 0 CA-C-N 112.823 -1.99 . . . . 0.0 110.654 178.291 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.305 0 O-C-N 120.882 -1.136 . . . . 0.0 110.39 178.586 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.16 0 O-C-N 125.789 1.93 . . . . 0.0 110.296 -178.378 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.289 -2.058 0 O-C-N 127.055 2.722 . . . . 0.0 107.061 178.952 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.607 0 CA-C-O 122.219 1.009 . . . . 0.0 112.892 177.898 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.907 0 O-C-N 117.457 -3.277 . . . . 0.0 114.599 179.679 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.804 0 O-C-N 125.556 1.785 . . . . 0.0 108.115 179.512 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.554 1 O-C-N 129.221 4.076 . . . . 0.0 109.784 179.187 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 120.021 -1.675 . . . . 0.0 111.874 179.06 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 125.082 1.353 . . . . 0.0 112.798 178.728 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.035 0 C-N-CA 128.014 2.721 . . . . 0.0 114.258 -179.373 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.273 2.295 0 C-N-CA 128.266 2.627 . . . . 0.0 111.463 -177.55 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 C-N-CA 117.608 -1.637 . . . . 0.0 107.401 179.219 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.287 -2.126 0 CA-C-O 117.262 -1.351 . . . . 0.0 108.988 -179.695 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.336 0 C-N-CA 122.863 2.375 . . . . 0.0 111.79 179.318 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 332' ' ' ASN . . . . . . . . . . . . . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.009 0 O-C-N 118.673 -2.517 . . . . 0.0 115.677 -177.57 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.042 0 C-N-CA 126.666 1.986 . . . . 0.0 110.876 178.86 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.506 -0.915 0 C-N-CA 123.433 2.755 . . . . 0.0 115.453 179.345 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.692 0 CA-C-N 121.32 1.873 . . . . 0.0 113.401 178.075 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 124.959 1.304 . . . . 0.0 108.003 -179.955 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.855 0 C-N-CA 119.079 -1.049 . . . . 0.0 109.765 179.121 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.544 -0.723 . . . . 0.0 109.286 179.103 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 C--O 1.243 0.747 0 CA-C-N 114.223 -1.353 . . . . 0.0 109.777 179.822 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 119.559 1.072 . . . . 0.0 111.963 -177.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-O 117.102 -1.428 . . . . 0.0 111.887 -178.069 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 115.055 1.502 . . . . 0.0 115.055 -178.959 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.482 0 CA-C-N 114.572 -1.194 . . . . 0.0 109.18 179.769 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-O 124.926 2.298 . . . . 0.0 109.445 178.288 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.499 -1.009 0 CA-C-N 112.725 -2.034 . . . . 0.0 111.251 178.762 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.76 0 CA-C-N 121.142 1.792 . . . . 0.0 112.779 179.869 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.313 0 CA-C-O 118.423 -0.798 . . . . 0.0 112.238 -176.301 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 O-C-N 124.132 0.895 . . . . 0.0 109.071 -179.25 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-O 115.255 -2.307 . . . . 0.0 110.902 -178.126 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.219 0 O-C-N 127.525 3.015 . . . . 0.0 111.038 178.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.782 0 C-N-CA 127.387 2.275 . . . . 0.0 113.768 -177.154 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 125.978 2.049 . . . . 0.0 112.176 -179.921 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.255 1.408 0 CA-C-N 121.34 1.882 . . . . 0.0 114.836 179.887 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.585 0 C-N-CA 124.805 1.242 . . . . 0.0 111.407 179.547 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 178.928 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.307 -1.247 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 178.232 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 O-C-N 124.837 1.335 . . . . 0.0 110.034 -178.682 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.331 0 CA-C-N 113.634 -1.621 . . . . 0.0 111.104 178.318 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.513 0 C-N-CA 127.117 2.167 . . . . 0.0 112.522 -178.565 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 113.692 -1.595 . . . . 0.0 111.987 179.765 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 116.752 -1.594 . . . . 0.0 111.631 -178.273 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 126.464 2.353 . . . . 0.0 107.529 178.9 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 C--N 1.312 -1.048 0 C-N-CA 126.413 1.885 . . . . 0.0 113.142 179.29 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.58 -179.198 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.161 0 O-C-N 124.436 1.085 . . . . 0.0 108.198 178.182 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-O 116.537 -1.697 . . . . 0.0 112.119 179.069 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.527 0 N-CA-C 115.9 1.815 . . . . 0.0 115.9 -179.761 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 O-C-N 124.479 1.112 . . . . 0.0 111.113 -177.898 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.311 -1.105 0 O-C-N 125.433 1.708 . . . . 0.0 111.335 -178.666 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.085 0 C-N-CA 127.31 2.244 . . . . 0.0 107.464 179.066 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 500' ' ' MXT . . . . . 0.747 ' O11' H232 ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 600' ' ' MXT . . . . . 0.899 H232 ' O11' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 24.6 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.295 0 O-C-N 125.664 1.852 . . . . 0.0 106.849 172.812 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.774 1 O-C-N 129.209 4.268 . . . . 0.0 107.976 -177.58 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.894 0 CA-C-N 121.009 1.731 . . . . 0.0 112.63 -178.468 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.502 2.144 0 CA-C-N 114.243 -1.344 . . . . 0.0 110.901 -179.046 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.186 0 C-N-CA 126.991 2.117 . . . . 0.0 110.234 -178.141 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.256 1.441 0 O-C-N 120.882 -1.136 . . . . 0.0 109.84 179.507 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.591 0 N-CA-C 105.945 -1.872 . . . . 0.0 105.945 -177.405 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 127.113 2.758 . . . . 0.0 107.842 179.755 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.78 0 CA-C-O 115.41 -2.233 . . . . 0.0 106.466 177.267 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.552 1 O-C-N 130.686 4.991 . . . . 0.0 106.314 178.346 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.137 0 CA-C-O 113.727 -3.035 . . . . 0.0 105.848 -179.808 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-N 121.133 1.788 . . . . 0.0 110.033 -177.754 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 125.891 1.994 . . . . 0.0 105.765 -176.568 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.364 0 O-C-N 127.532 3.02 . . . . 0.0 112.72 -176.343 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.937 0 O-C-N 127.253 2.846 . . . . 0.0 112.299 177.591 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.928 0 O-C-N 119.068 -2.27 . . . . 0.0 111.9 -179.655 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--O 1.225 -0.202 0 O-C-N 126.633 2.458 . . . . 0.0 109.643 -174.835 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.722 0 C-N-CA 124.689 3.593 . . . . 0.0 111.909 179.72 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.475 0.812 0 CA-C-N 111.76 -2.473 . . . . 0.0 106.775 179.148 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.265 0 O-C-N 127.51 3.374 . . . . 0.0 107.944 178.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.511 0 C-N-CA 121.826 1.684 . . . . 0.0 108.324 178.909 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.622 0 O-C-N 127.044 2.715 . . . . 0.0 112.185 179.943 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -2.0 0 C-N-CA 126.748 2.019 . . . . 0.0 114.872 -174.462 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.703 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 175.01 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 124.951 1.407 . . . . 0.0 113.665 -175.834 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.415 0 CA-C-O 117.461 -1.257 . . . . 0.0 112.785 -179.419 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.311 0 CA-C-N 121.743 2.065 . . . . 0.0 114.938 179.629 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.309 -1.512 0 C-N-CA 122.118 1.879 . . . . 0.0 113.312 178.117 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.907 0 C-N-CA 129.778 3.231 . . . . 0.0 112.307 178.844 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.041 0 O-C-N 119.378 -2.076 . . . . 0.0 109.527 178.017 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.559 1.325 0 CA-C-O 115.589 -2.148 . . . . 0.0 109.241 179.676 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 127.368 2.918 . . . . 0.0 109.397 179.572 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.224 0 O-C-N 120.342 -1.473 . . . . 0.0 112.87 177.194 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-O 121.977 0.894 . . . . 0.0 113.349 179.039 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.261 0 C-N-CA 126.465 1.906 . . . . 0.0 109.247 179.713 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 125.121 1.513 . . . . 0.0 110.215 175.873 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.169 0 C-N-CA 127.059 2.144 . . . . 0.0 114.61 178.834 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.009 0 CA-C-O 117.052 -1.971 . . . . 0.0 112.344 178.442 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-N 118.111 0.956 . . . . 0.0 108.482 179.296 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 176.059 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.246 0.918 0 C-N-CA 123.92 0.888 . . . . 0.0 112.892 -179.506 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.484 0 N-CA-C 115.007 1.484 . . . . 0.0 115.007 -175.588 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.31 -1.114 0 C-N-CA 125.062 1.345 . . . . 0.0 108.095 175.102 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 177.246 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.957 0 CA-C-N 114.305 -1.316 . . . . 0.0 110.069 -179.911 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-O 116.031 -1.938 . . . . 0.0 112.352 178.778 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.549 0 C-N-CA 126.88 2.072 . . . . 0.0 116.575 -174.879 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.6 0 CA-C-O 122.771 1.272 . . . . 0.0 112.259 -178.92 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 122.396 2.064 . . . . 0.0 115.086 -179.547 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 107.478 -1.304 . . . . 0.0 107.478 177.63 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.42 0 N-CA-C 115.176 1.546 . . . . 0.0 115.176 178.362 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.106 0 O-C-N 118.339 -2.726 . . . . 0.0 114.573 -179.067 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.253 1.266 0 N-CA-C 115.949 1.833 . . . . 0.0 115.949 179.71 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.064 0 CA-C-N 120.25 1.125 . . . . 0.0 114.912 -179.657 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.257 1.023 . . . . 0.0 112.005 179.865 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 O-C-N 125.075 1.485 . . . . 0.0 111.469 -179.764 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.337 0 N-CA-C 116.921 2.193 . . . . 0.0 116.921 179.087 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 127.656 2.382 . . . . 0.0 115.565 -178.01 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.246 0.883 0 N-CA-C 117.125 2.268 . . . . 0.0 117.125 -178.584 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.482 -2.023 0 CA-C-O 115.701 -2.722 . . . . 0.0 118.875 177.697 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.29 -1.979 0 CA-C-N 124.128 3.964 . . . . 0.0 111.382 179.732 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.175 0 CA-C-O 115.61 -2.138 . . . . 0.0 106.267 177.56 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.302 -1.497 0 O-C-N 125.542 1.776 . . . . 0.0 107.661 -179.011 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.472 0 O-C-N 125.821 1.951 . . . . 0.0 111.494 -179.678 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-O 122.053 0.93 . . . . 0.0 110.694 179.487 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.045 0 N-CA-C 106.762 -1.57 . . . . 0.0 106.762 -179.894 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.266 1.973 0 O-C-N 126.037 2.085 . . . . 0.0 116.241 -179.838 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.767 0 CA-C-O 117.928 -1.034 . . . . 0.0 112.635 -178.24 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.485 1.932 0 N-CA-C 107.828 -2.109 . . . . 0.0 107.828 -178.359 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 125.345 2.498 . . . . 0.0 112.705 -177.866 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.842 0 CA-C-N 110.903 -2.862 . . . . 0.0 110.421 179.215 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.314 -0.96 0 O-C-N 126.393 2.308 . . . . 0.0 105.42 176.619 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.356 0 N-CA-C 117.874 2.546 . . . . 0.0 117.874 -176.582 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 178.771 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 103.788 -2.671 . . . . 0.0 103.788 177.108 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 CA-C-N 112.026 -2.352 . . . . 0.0 108.027 -179.334 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.254 1.363 0 N-CA-C 118.49 2.156 . . . . 0.0 118.49 -178.206 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.674 0 CA-C-N 118.238 1.019 . . . . 0.0 112.294 -179.714 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.668 0 O-C-N 123.708 0.63 . . . . 0.0 112.632 -177.169 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 124.242 1.972 . . . . 0.0 110.083 -179.844 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.907 0 CA-C-N 113.416 -1.72 . . . . 0.0 108.388 -178.379 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 C--N 1.318 -0.429 0 CA-C-N 114.059 -1.428 . . . . 0.0 110.191 179.248 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 124.806 0.945 . . . . 0.0 110.009 179.931 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 1.011 0 CA-C-N 114.333 -1.303 . . . . 0.0 109.386 179.277 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.194 0 O-C-N 124.495 1.122 . . . . 0.0 110.201 178.881 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.31 -0.889 0 N-CA-C 119.059 2.384 . . . . 0.0 119.059 -179.706 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.833 0 O-C-N 120.864 -1.374 . . . . 0.0 109.097 179.502 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 178.611 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.916 0 O-C-N 125.619 1.824 . . . . 0.0 110.245 179.113 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.382 0.61 . . . . 0.0 111.914 -179.162 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 115.708 -2.091 . . . . 0.0 108.784 -177.927 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.293 -1.865 0 O-C-N 127.267 2.854 . . . . 0.0 110.348 178.738 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-O 117.668 -1.158 . . . . 0.0 109.534 -179.663 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 O-C-N 128.154 3.409 . . . . 0.0 112.818 -177.656 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.26 0 O-C-N 125.136 1.523 . . . . 0.0 111.754 -178.121 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 123.876 0.87 . . . . 0.0 110.173 178.309 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.947 0 N-CA-C 117.994 2.59 . . . . 0.0 117.994 175.62 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.058 0 C-N-CA 124.076 0.951 . . . . 0.0 109.047 177.517 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 127.429 2.955 . . . . 0.0 111.352 -177.939 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.385 0 C-N-CA 129.935 3.294 . . . . 0.0 109.023 178.286 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.246 0.918 0 O-C-N 126.803 2.564 . . . . 0.0 113.769 -178.078 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 115.259 1.577 . . . . 0.0 115.259 -178.419 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 124.709 1.255 . . . . 0.0 109.931 178.574 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.402 0 C-N-CA 123.99 0.916 . . . . 0.0 109.154 179.03 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.876 0 C-N-CA 123.497 0.719 . . . . 0.0 112.713 -178.45 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-O 116.985 -1.483 . . . . 0.0 111.028 -177.888 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 CA-C-O 116.79 -1.576 . . . . 0.0 110.708 -176.95 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.137 0 CA-C-N 119.524 1.056 . . . . 0.0 112.854 -178.888 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 124.979 1.312 . . . . 0.0 111.716 -178.496 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 125.02 1.45 . . . . 0.0 108.227 -179.545 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 126.517 2.386 . . . . 0.0 111.631 -178.924 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.009 0 C-N-CA 120.163 -0.615 . . . . 0.0 110.521 177.544 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 114.282 1.216 . . . . 0.0 114.282 -177.752 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.3 -1.562 0 C-N-CA 125.691 1.597 . . . . 0.0 111.211 177.42 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.467 0.716 0 O-C-N 121.349 -0.844 . . . . 0.0 114.254 -179.406 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.51 -0.583 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 179.218 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.67 0 O-C-N 119.869 -1.769 . . . . 0.0 109.691 -179.394 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.888 0 N-CA-C 116.314 1.968 . . . . 0.0 116.314 -176.931 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 125.268 1.605 . . . . 0.0 110.276 -176.63 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 112.513 -2.131 . . . . 0.0 108.289 176.017 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 N-CA-C 104.545 -2.391 . . . . 0.0 104.545 178.423 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 125.396 1.685 . . . . 0.0 108.291 -177.661 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.285 0 O-C-N 125.885 1.99 . . . . 0.0 111.003 -175.569 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.46 0 O-C-N 126.306 2.74 . . . . 0.0 115.009 -176.495 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.257 1.491 0 O-C-N 120.398 -1.439 . . . . 0.0 113.826 177.715 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.256 1.395 0 N-CA-C 115.583 1.697 . . . . 0.0 115.583 -176.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--N 1.295 -1.79 0 CA-C-O 115.13 -2.367 . . . . 0.0 112.775 -178.722 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.614 0 CA-C-N 120.908 1.686 . . . . 0.0 114.856 -177.97 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.053 0 C-N-CA 127.037 2.135 . . . . 0.0 111.206 -179.612 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 O-C-N 126.213 2.195 . . . . 0.0 110.466 -179.726 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.077 -1.453 . . . . 0.0 107.077 177.921 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.747 0 C-N-CA 126.538 1.935 . . . . 0.0 112.609 178.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.252 1.19 0 CA-C-N 113.193 -1.821 . . . . 0.0 111.412 -177.691 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.118 0 C-N-CA 123.855 0.862 . . . . 0.0 113.217 -179.053 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 104.153 -2.536 . . . . 0.0 104.153 177.465 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 104.833 -2.284 . . . . 0.0 104.833 178.664 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 128.528 3.642 . . . . 0.0 116.996 -175.624 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.584 4.383 0 N-CA-C 105.284 -3.126 . . . . 0.0 105.284 177.086 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.273 2.33 0 O-C-N 128.573 3.161 . . . . 0.0 106.489 179.772 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.244 0.785 0 C-N-CA 118.899 -1.121 . . . . 0.0 112.661 -177.672 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.728 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 177.499 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.855 0 CA-C-O 122.447 1.118 . . . . 0.0 108.082 176.429 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.294 0 C-N-CA 121.495 1.463 . . . . 0.0 111.879 -179.744 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 176.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 105.334 -2.098 . . . . 0.0 105.334 177.51 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 122.832 1.301 . . . . 0.0 110.096 -176.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.25 1.15 0 CA-C-N 112.631 -2.077 . . . . 0.0 112.746 179.812 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.228 0 CA-C-N 118.179 0.989 . . . . 0.0 110.71 179.879 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.933 0 O-C-N 123.515 1.271 . . . . 0.0 111.649 177.182 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 103.191 -2.892 . . . . 0.0 103.191 178.483 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.333 0 O-C-N 126.938 2.649 . . . . 0.0 112.182 -178.837 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.683 0 N-CA-C 107.602 -1.73 . . . . 0.0 107.602 -179.735 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.29 -1.99 0 O-C-N 128.13 3.394 . . . . 0.0 102.979 -179.878 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.985 0 CA-C-O 115.959 -1.972 . . . . 0.0 108.816 -178.784 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.544 1.883 0 N-CA-C 104.065 -3.614 . . . . 0.0 104.065 178.964 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.53 0 CA-C-O 115.685 -2.103 . . . . 0.0 109.523 -178.052 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.569 1.702 0 N-CA-C 103.693 -2.706 . . . . 0.0 103.693 -179.04 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.077 0 O-C-N 127.693 3.121 . . . . 0.0 113.533 -177.009 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 106.368 -1.715 . . . . 0.0 106.368 -178.699 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.501 2.968 0 O-C-N 126.31 2.256 . . . . 0.0 107.634 -178.927 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.533 -2.157 . . . . 0.0 110.271 -176.646 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--N 1.305 -1.356 0 N-CA-C 100.594 -3.854 . . . . 0.0 100.594 179.746 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.284 0 CA-C-O 115.213 -2.078 . . . . 0.0 112.144 -178.611 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.272 -2.802 0 CA-C-N 120.685 1.584 . . . . 0.0 109.568 177.81 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.429 0 CA-C-N 112.834 -1.984 . . . . 0.0 110.558 178.328 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.277 0 O-C-N 120.903 -1.123 . . . . 0.0 110.423 178.538 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.556 1.187 0 O-C-N 125.745 1.903 . . . . 0.0 110.232 -178.343 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.078 0 O-C-N 127.052 2.72 . . . . 0.0 107.064 178.948 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.484 -1.596 0 CA-C-O 122.168 0.985 . . . . 0.0 112.913 177.923 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.906 0 O-C-N 117.47 -3.269 . . . . 0.0 114.587 179.647 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.793 0 O-C-N 125.614 1.821 . . . . 0.0 108.112 179.521 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.573 1 O-C-N 129.26 4.1 . . . . 0.0 109.779 179.199 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 120.049 -1.657 . . . . 0.0 111.875 179.03 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.529 0 C-N-CA 125.08 1.352 . . . . 0.0 112.717 178.79 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.288 -2.091 0 C-N-CA 127.999 2.714 . . . . 0.0 114.286 -179.137 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.25 0 C-N-CA 128.251 2.621 . . . . 0.0 111.555 -178.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 C-N-CA 117.615 -1.634 . . . . 0.0 107.387 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.099 0 CA-C-O 117.305 -1.331 . . . . 0.0 108.967 -179.803 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.298 0 C-N-CA 122.878 2.385 . . . . 0.0 111.755 179.667 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 332' ' ' ASN . . . . . . . . . . . . . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.002 0 O-C-N 118.672 -2.518 . . . . 0.0 115.701 -177.421 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.055 0 C-N-CA 126.634 1.974 . . . . 0.0 110.97 -178.823 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.506 -0.919 0 C-N-CA 123.422 2.748 . . . . 0.0 115.496 177.554 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-N 121.318 1.872 . . . . 0.0 113.468 177.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 124.945 1.298 . . . . 0.0 108.048 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.843 0 C-N-CA 119.091 -1.044 . . . . 0.0 109.728 179.138 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.614 -0.679 . . . . 0.0 109.347 179.084 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 114.192 -1.367 . . . . 0.0 109.711 179.822 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-N 119.548 1.067 . . . . 0.0 111.932 -177.916 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-O 117.075 -1.441 . . . . 0.0 111.873 -177.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 -178.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.256 1.446 0 CA-C-N 114.541 -1.209 . . . . 0.0 109.191 179.717 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-O 124.871 2.272 . . . . 0.0 109.417 178.343 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.039 0 CA-C-N 112.79 -2.005 . . . . 0.0 111.265 178.766 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.725 0 CA-C-N 121.103 1.774 . . . . 0.0 112.755 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.253 1.282 0 CA-C-O 118.452 -0.785 . . . . 0.0 112.274 -176.353 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 O-C-N 124.11 0.881 . . . . 0.0 109.111 -179.32 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-O 115.242 -2.313 . . . . 0.0 110.912 -178.145 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.231 0 O-C-N 127.604 3.065 . . . . 0.0 111.032 178.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.765 0 C-N-CA 127.376 2.27 . . . . 0.0 113.777 -177.158 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 125.939 2.024 . . . . 0.0 112.216 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.253 1.335 0 CA-C-N 121.32 1.873 . . . . 0.0 114.828 179.836 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.26 1.606 0 C-N-CA 124.782 1.233 . . . . 0.0 111.416 179.534 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 178.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.214 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 178.251 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.944 0 O-C-N 124.831 1.332 . . . . 0.0 110.002 -178.636 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 113.645 -1.616 . . . . 0.0 111.017 178.363 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.302 -1.494 0 C-N-CA 127.143 2.177 . . . . 0.0 112.54 -178.56 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 113.649 -1.614 . . . . 0.0 111.987 179.807 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.681 0 CA-C-O 116.735 -1.602 . . . . 0.0 111.639 -178.268 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 126.532 2.395 . . . . 0.0 107.558 178.893 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 C--N 1.312 -1.029 0 C-N-CA 126.393 1.877 . . . . 0.0 113.124 179.279 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.631 -179.217 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.174 0 O-C-N 124.416 1.072 . . . . 0.0 108.231 178.155 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-O 116.529 -1.701 . . . . 0.0 112.086 179.035 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.257 1.498 0 N-CA-C 115.964 1.838 . . . . 0.0 115.964 -179.767 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 O-C-N 124.541 1.151 . . . . 0.0 111.11 -177.938 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.121 0 O-C-N 125.453 1.72 . . . . 0.0 111.373 -178.668 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.063 0 C-N-CA 127.268 2.227 . . . . 0.0 107.481 179.061 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 500' ' ' MXT . . . . . 0.621 H232 ' O12' ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 600' ' ' MXT . . . . . 0.911 H232 ' O11' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.422 ' O ' ' O11' ' A' ' 500' ' ' MXT . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.881 ' N ' H121 ' A' ' 500' ' ' MXT . 0.5 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.747 ' H ' H122 ' A' ' 500' ' ' MXT . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.506 2.329 0 O-C-N 125.664 1.852 . . . . 0.0 106.834 169.598 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.734 1 O-C-N 129.206 4.266 . . . . 0.0 107.962 -175.508 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.937 0 CA-C-N 121.001 1.728 . . . . 0.0 112.641 -178.002 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.22 0 CA-C-N 114.205 -1.361 . . . . 0.0 110.895 -177.877 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.195 0 C-N-CA 127.006 2.122 . . . . 0.0 110.262 -177.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.256 1.419 0 O-C-N 120.847 -1.158 . . . . 0.0 109.828 -179.249 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.565 0 N-CA-C 105.925 -1.88 . . . . 0.0 105.925 -178.09 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 127.099 2.749 . . . . 0.0 107.812 178.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.572 1.792 0 CA-C-O 115.455 -2.212 . . . . 0.0 106.422 179.308 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.511 2.581 1 O-C-N 130.715 5.01 . . . . 0.0 106.315 176.49 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.159 0 CA-C-O 113.767 -3.016 . . . . 0.0 105.84 -179.803 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.47 0 CA-C-N 121.124 1.784 . . . . 0.0 110.081 -177.775 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.8 0 O-C-N 125.854 1.971 . . . . 0.0 105.803 -176.625 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.254 1.33 0 O-C-N 127.555 3.035 . . . . 0.0 112.808 -176.372 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.945 0 O-C-N 127.208 2.818 . . . . 0.0 112.304 177.588 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.316 -0.89 0 O-C-N 119.063 -2.273 . . . . 0.0 111.908 -179.66 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.331 -0.205 0 O-C-N 126.606 2.441 . . . . 0.0 109.692 -174.885 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.756 0 C-N-CA 124.668 3.578 . . . . 0.0 111.909 179.717 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.84 0 CA-C-N 111.778 -2.465 . . . . 0.0 106.71 179.189 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.257 0 O-C-N 127.582 3.411 . . . . 0.0 107.909 178.96 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.532 0 C-N-CA 121.828 1.686 . . . . 0.0 108.288 178.886 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.585 0 O-C-N 127.04 2.712 . . . . 0.0 112.187 179.923 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.993 0 C-N-CA 126.779 2.032 . . . . 0.0 114.881 -174.44 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.687 0 N-CA-C 107.732 -1.211 . . . . 0.0 107.732 174.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.298 0 O-C-N 124.896 1.373 . . . . 0.0 113.66 -175.781 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.437 0 CA-C-O 117.403 -1.284 . . . . 0.0 112.768 -179.39 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.295 0 CA-C-N 121.767 2.076 . . . . 0.0 114.931 179.632 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.477 0 C-N-CA 122.145 1.896 . . . . 0.0 113.347 178.036 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.878 0 C-N-CA 129.781 3.232 . . . . 0.0 112.272 178.878 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.045 0 O-C-N 119.365 -2.085 . . . . 0.0 109.493 177.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.334 0 CA-C-O 115.614 -2.136 . . . . 0.0 109.262 179.75 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 127.391 2.932 . . . . 0.0 109.333 179.611 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.214 0 O-C-N 120.301 -1.499 . . . . 0.0 112.871 177.193 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-O 121.997 0.903 . . . . 0.0 113.351 179.035 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.272 0 C-N-CA 126.488 1.915 . . . . 0.0 109.227 179.752 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 125.064 1.477 . . . . 0.0 110.239 175.88 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.146 0 C-N-CA 127.073 2.149 . . . . 0.0 114.593 178.873 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.545 1.938 0 CA-C-O 117.094 -1.948 . . . . 0.0 112.367 178.492 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-N 118.153 0.976 . . . . 0.0 108.492 179.281 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 176.001 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.966 0 C-N-CA 123.946 0.898 . . . . 0.0 112.86 -179.54 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.495 0 N-CA-C 114.931 1.456 . . . . 0.0 114.931 -175.471 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.103 0 C-N-CA 125.076 1.351 . . . . 0.0 108.111 175.058 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 177.304 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.21 -0.976 0 CA-C-N 114.28 -1.327 . . . . 0.0 110.071 -179.918 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-O 115.969 -1.967 . . . . 0.0 112.3 178.794 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.546 0 N-CA-C 116.583 2.068 . . . . 0.0 116.583 -174.863 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.615 0 CA-C-O 122.795 1.283 . . . . 0.0 112.294 -178.943 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.448 -1.18 0 C-N-CA 122.396 2.064 . . . . 0.0 115.094 -179.529 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 177.674 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.401 0 N-CA-C 115.181 1.548 . . . . 0.0 115.181 178.342 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.497 -1.075 0 O-C-N 118.342 -2.724 . . . . 0.0 114.58 -179.029 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.336 0 N-CA-C 115.969 1.84 . . . . 0.0 115.969 179.703 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.074 0 CA-C-N 120.287 1.138 . . . . 0.0 114.857 -179.622 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.318 1.047 . . . . 0.0 112.011 179.906 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 O-C-N 125.071 1.482 . . . . 0.0 111.469 -179.72 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.317 0 N-CA-C 116.891 2.182 . . . . 0.0 116.891 179.115 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 127.648 2.379 . . . . 0.0 115.564 -178.004 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.844 0 N-CA-C 117.114 2.264 . . . . 0.0 117.114 -178.529 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.482 -2.03 0 CA-C-O 115.705 -2.719 . . . . 0.0 118.885 177.665 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.954 0 CA-C-N 124.149 3.975 . . . . 0.0 111.353 179.729 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-O 115.681 -2.104 . . . . 0.0 106.255 177.489 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.302 -1.474 0 O-C-N 125.49 1.744 . . . . 0.0 107.677 -178.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.256 1.436 0 O-C-N 125.784 1.927 . . . . 0.0 111.505 -179.691 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-O 122.075 0.94 . . . . 0.0 110.709 179.46 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.043 0 N-CA-C 106.713 -1.588 . . . . 0.0 106.713 -179.922 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 2.01 0 O-C-N 126.086 2.116 . . . . 0.0 116.208 -179.844 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.797 0 CA-C-O 117.92 -1.038 . . . . 0.0 112.621 -178.232 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 1.972 0 N-CA-C 107.86 -2.096 . . . . 0.0 107.86 -178.383 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 125.355 2.502 . . . . 0.0 112.666 -177.816 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.246 0.87 0 CA-C-N 110.902 -2.863 . . . . 0.0 110.398 179.183 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -0.989 0 O-C-N 126.348 2.28 . . . . 0.0 105.404 176.607 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.377 0 N-CA-C 117.77 2.507 . . . . 0.0 117.77 -176.532 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 178.81 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 103.801 -2.666 . . . . 0.0 103.801 177.096 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 CA-C-N 112.009 -2.359 . . . . 0.0 108.011 -179.297 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.312 0 N-CA-C 118.574 2.189 . . . . 0.0 118.574 -178.258 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.709 0 O-C-N 121.415 -1.05 . . . . 0.0 112.215 -179.638 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.688 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -177.179 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.834 0 CA-C-O 124.248 1.975 . . . . 0.0 110.056 -179.821 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.247 0.934 0 CA-C-N 113.449 -1.705 . . . . 0.0 108.331 -178.388 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.463 0.499 0 CA-C-N 114.065 -1.425 . . . . 0.0 110.162 179.328 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 124.788 0.934 . . . . 0.0 110.037 179.922 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.988 0 CA-C-N 114.345 -1.298 . . . . 0.0 109.333 179.345 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.19 0 O-C-N 124.529 1.143 . . . . 0.0 110.225 178.848 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 CA--C 1.501 -0.842 0 N-CA-C 119.054 2.381 . . . . 0.0 119.054 -179.672 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.861 0 O-C-N 120.841 -1.388 . . . . 0.0 109.074 179.521 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 178.628 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.894 0 O-C-N 125.678 1.861 . . . . 0.0 110.233 179.126 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.324 0.583 . . . . 0.0 111.924 -179.192 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 115.739 -2.076 . . . . 0.0 108.802 -177.917 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.293 -1.861 0 O-C-N 127.267 2.854 . . . . 0.0 110.36 178.729 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 117.673 -1.156 . . . . 0.0 109.612 -179.719 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 O-C-N 128.156 3.41 . . . . 0.0 112.835 -177.726 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.252 1.234 0 O-C-N 125.106 1.504 . . . . 0.0 111.758 -178.086 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 123.846 0.859 . . . . 0.0 110.193 178.245 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.971 0 N-CA-C 118.02 2.6 . . . . 0.0 118.02 175.651 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.041 0 C-N-CA 124.059 0.944 . . . . 0.0 109.043 177.558 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 127.426 2.954 . . . . 0.0 111.391 -177.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.396 0 C-N-CA 129.981 3.312 . . . . 0.0 109.007 178.285 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.246 0.92 0 O-C-N 126.811 2.57 . . . . 0.0 113.778 -178.127 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 115.297 1.592 . . . . 0.0 115.297 -178.429 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 124.737 1.273 . . . . 0.0 109.903 178.581 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.41 0 C-N-CA 123.998 0.919 . . . . 0.0 109.178 178.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 123.456 0.703 . . . . 0.0 112.679 -178.421 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-O 117.023 -1.465 . . . . 0.0 110.991 -177.835 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 CA-C-O 116.782 -1.58 . . . . 0.0 110.659 -176.901 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.143 0 CA-C-N 119.579 1.082 . . . . 0.0 112.817 -178.843 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 124.924 1.29 . . . . 0.0 111.696 -178.482 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 125.043 1.464 . . . . 0.0 108.277 -179.568 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.295 -1.768 0 O-C-N 126.551 2.407 . . . . 0.0 111.634 -178.945 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.023 0 C-N-CA 120.211 -0.595 . . . . 0.0 110.51 177.544 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.734 0 N-CA-C 114.298 1.221 . . . . 0.0 114.298 -177.734 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 125.681 1.593 . . . . 0.0 111.243 177.384 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 C--O 1.243 0.687 0 O-C-N 121.3 -0.875 . . . . 0.0 114.218 -179.436 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.604 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 179.251 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 119.839 -1.788 . . . . 0.0 109.658 -179.352 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.442 -0.87 0 N-CA-C 116.341 1.978 . . . . 0.0 116.341 -176.971 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 125.304 1.627 . . . . 0.0 110.324 -176.694 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 112.528 -2.124 . . . . 0.0 108.298 176.023 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 N-CA-C 104.51 -2.404 . . . . 0.0 104.51 178.476 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 125.375 1.672 . . . . 0.0 108.301 -177.685 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.3 0 O-C-N 125.897 1.998 . . . . 0.0 111.011 -175.591 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.453 0 O-C-N 126.285 2.729 . . . . 0.0 115.026 -176.516 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.257 1.489 0 O-C-N 120.435 -1.416 . . . . 0.0 113.851 177.662 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.346 0 N-CA-C 115.635 1.716 . . . . 0.0 115.635 -176.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.264 1.819 0 CA-C-O 115.077 -2.392 . . . . 0.0 112.803 -178.703 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.652 0 CA-C-N 120.906 1.685 . . . . 0.0 114.851 -178.044 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.311 -1.077 0 C-N-CA 127.03 2.132 . . . . 0.0 111.191 -179.554 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 O-C-N 126.269 2.231 . . . . 0.0 110.459 -179.724 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 125.388 1.475 . . . . 0.0 107.054 177.913 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.261 1.707 0 C-N-CA 126.591 1.956 . . . . 0.0 112.588 179.035 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.252 1.196 0 CA-C-N 113.207 -1.815 . . . . 0.0 111.453 -177.736 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.152 0 C-N-CA 123.879 0.872 . . . . 0.0 113.147 -179.117 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 104.166 -2.531 . . . . 0.0 104.166 177.416 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 104.783 -2.303 . . . . 0.0 104.783 178.728 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 128.487 3.617 . . . . 0.0 116.94 -175.587 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.328 0 N-CA-C 105.326 -3.11 . . . . 0.0 105.326 177.09 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.273 2.341 0 O-C-N 128.507 3.122 . . . . 0.0 106.507 179.81 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.848 0 C-N-CA 118.975 -1.09 . . . . 0.0 112.706 -177.607 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.752 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 177.568 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.244 0.785 0 CA-C-O 122.437 1.113 . . . . 0.0 108.105 176.426 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.276 0 C-N-CA 121.521 1.481 . . . . 0.0 111.843 -179.692 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 176.964 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 105.382 -2.081 . . . . 0.0 105.382 177.468 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 122.816 1.293 . . . . 0.0 110.11 -176.899 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.172 0 CA-C-N 112.62 -2.082 . . . . 0.0 112.747 179.178 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.232 0 CA-C-N 118.197 0.998 . . . . 0.0 110.755 179.615 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.451 -0.972 0 O-C-N 123.449 1.236 . . . . 0.0 111.661 177.154 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 103.168 -2.901 . . . . 0.0 103.168 178.811 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.306 -1.325 0 O-C-N 126.918 2.636 . . . . 0.0 112.216 -178.805 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.44 -1.644 0 N-CA-C 107.59 -1.735 . . . . 0.0 107.59 -179.725 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.974 0 O-C-N 128.104 3.377 . . . . 0.0 103.008 -179.728 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.991 0 CA-C-O 116.006 -1.95 . . . . 0.0 108.833 179.574 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.825 0 N-CA-C 104.065 -3.614 . . . . 0.0 104.065 -179.54 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.504 0 CA-C-O 115.682 -2.104 . . . . 0.0 109.483 -178.74 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.728 0 N-CA-C 103.67 -2.715 . . . . 0.0 103.67 -177.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.092 0 O-C-N 127.753 3.158 . . . . 0.0 113.521 -177.552 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 -178.409 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.952 0 O-C-N 126.255 2.222 . . . . 0.0 107.629 -179.003 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.521 -2.164 . . . . 0.0 110.271 -177.389 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.253 1.281 0 O-C-N 116.307 -3.995 . . . . 0.0 100.612 -177.386 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 CA-C-O 115.21 -2.079 . . . . 0.0 112.066 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.808 0 CA-C-N 120.716 1.598 . . . . 0.0 109.537 177.824 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.412 0 CA-C-N 112.84 -1.982 . . . . 0.0 110.551 178.357 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.322 0 O-C-N 120.944 -1.097 . . . . 0.0 110.44 178.559 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.148 0 O-C-N 125.806 1.941 . . . . 0.0 110.26 -178.368 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.078 0 O-C-N 127.018 2.699 . . . . 0.0 107.034 178.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.606 0 CA-C-O 122.18 0.99 . . . . 0.0 112.86 177.919 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.875 0 O-C-N 117.464 -3.273 . . . . 0.0 114.593 179.711 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.808 0 O-C-N 125.646 1.841 . . . . 0.0 108.16 179.466 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.57 1 O-C-N 129.281 4.113 . . . . 0.0 109.755 179.208 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 120.036 -1.665 . . . . 0.0 111.89 179.102 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 125.108 1.363 . . . . 0.0 112.778 178.73 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.29 -2.025 0 C-N-CA 127.97 2.7 . . . . 0.0 114.281 -179.221 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.273 2.295 0 C-N-CA 128.206 2.602 . . . . 0.0 111.517 -179.274 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 C-N-CA 117.605 -1.638 . . . . 0.0 107.392 -179.934 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.289 -2.059 0 CA-C-O 117.28 -1.343 . . . . 0.0 108.991 -179.926 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.862 2.375 . . . . 0.0 111.77 179.084 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 332' ' ' ASN . . . . . . . . . . . . . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 0.994 0 O-C-N 118.644 -2.535 . . . . 0.0 115.742 -178.018 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.026 0 C-N-CA 126.616 1.966 . . . . 0.0 110.964 176.727 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.955 0 C-N-CA 123.414 2.743 . . . . 0.0 115.498 -179.276 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-N 121.312 1.869 . . . . 0.0 113.466 177.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 124.964 1.306 . . . . 0.0 108.031 -179.937 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.85 0 C-N-CA 119.051 -1.06 . . . . 0.0 109.746 179.102 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.59 -0.694 . . . . 0.0 109.292 179.11 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 114.269 -1.332 . . . . 0.0 109.794 179.806 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-N 119.532 1.06 . . . . 0.0 111.949 -177.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-O 117.084 -1.436 . . . . 0.0 111.856 -178.023 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 115.062 1.505 . . . . 0.0 115.062 -178.923 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.258 1.503 0 CA-C-N 114.566 -1.197 . . . . 0.0 109.165 179.713 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-O 124.899 2.285 . . . . 0.0 109.409 178.331 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.499 -1.015 0 CA-C-N 112.716 -2.038 . . . . 0.0 111.314 178.794 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.295 -1.78 0 CA-C-N 121.127 1.785 . . . . 0.0 112.71 179.838 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.293 0 CA-C-O 118.41 -0.805 . . . . 0.0 112.239 -176.244 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 O-C-N 124.087 0.867 . . . . 0.0 109.119 -179.33 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-O 115.246 -2.311 . . . . 0.0 110.916 -178.129 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.205 0 O-C-N 127.601 3.063 . . . . 0.0 111.021 178.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.405 2.282 . . . . 0.0 113.756 -177.142 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 126.011 2.069 . . . . 0.0 112.222 -179.906 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.381 0 CA-C-N 121.339 1.881 . . . . 0.0 114.798 179.857 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.557 0 C-N-CA 124.806 1.243 . . . . 0.0 111.457 179.541 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 178.918 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 178.229 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 O-C-N 124.822 1.326 . . . . 0.0 110.042 -178.659 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 113.617 -1.629 . . . . 0.0 111.029 178.362 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.509 0 C-N-CA 127.158 2.183 . . . . 0.0 112.543 -178.574 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 113.674 -1.603 . . . . 0.0 111.976 179.794 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-O 116.773 -1.584 . . . . 0.0 111.673 -178.291 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 126.511 2.382 . . . . 0.0 107.542 178.887 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.066 0 C-N-CA 126.424 1.89 . . . . 0.0 113.126 179.305 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.656 -179.23 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-O 122.344 1.069 . . . . 0.0 108.222 178.107 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 116.552 -1.689 . . . . 0.0 112.122 179.044 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.518 0 N-CA-C 115.891 1.812 . . . . 0.0 115.891 -179.775 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 O-C-N 124.456 1.098 . . . . 0.0 111.073 -177.868 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.127 0 O-C-N 125.456 1.723 . . . . 0.0 111.367 -178.655 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.061 0 C-N-CA 127.226 2.21 . . . . 0.0 107.454 179.13 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 500' ' ' MXT . . . . . 0.881 H121 ' N ' ' A' ' 41' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 600' ' ' MXT . . . . . 0.643 ' O12' H232 ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 8.9 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.405 ' H ' H122 ' A' ' 500' ' ' MXT . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.506 2.328 0 O-C-N 125.664 1.852 . . . . 0.0 106.848 172.879 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.761 1 O-C-N 129.171 4.248 . . . . 0.0 107.955 -177.685 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.903 0 CA-C-N 120.955 1.707 . . . . 0.0 112.634 -178.464 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.209 0 CA-C-N 114.215 -1.357 . . . . 0.0 110.905 -179.284 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.157 0 C-N-CA 126.97 2.108 . . . . 0.0 110.244 -177.555 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.472 0 O-C-N 120.879 -1.138 . . . . 0.0 109.861 -179.817 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.584 0 N-CA-C 105.955 -1.869 . . . . 0.0 105.955 -177.273 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 127.141 2.775 . . . . 0.0 107.868 179.906 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.753 0 CA-C-O 115.431 -2.223 . . . . 0.0 106.498 177.94 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.556 1 O-C-N 130.665 4.978 . . . . 0.0 106.349 178.23 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.167 0 CA-C-O 113.715 -3.04 . . . . 0.0 105.856 -179.763 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-N 121.21 1.823 . . . . 0.0 110.043 -177.788 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.779 0 O-C-N 125.896 1.997 . . . . 0.0 105.753 -176.567 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.256 1.395 0 O-C-N 127.511 3.007 . . . . 0.0 112.738 -176.398 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.971 0 O-C-N 127.225 2.828 . . . . 0.0 112.235 177.672 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 122.172 2.26 . . . . 0.0 111.892 -179.66 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.331 -0.224 0 O-C-N 126.626 2.454 . . . . 0.0 109.71 -174.868 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.719 0 C-N-CA 124.666 3.577 . . . . 0.0 111.921 179.73 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.837 0 CA-C-N 111.735 -2.484 . . . . 0.0 106.74 179.149 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.316 -1.183 0 O-C-N 127.499 3.368 . . . . 0.0 107.907 179.006 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.532 0 C-N-CA 121.867 1.711 . . . . 0.0 108.327 178.839 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.607 0 O-C-N 127.054 2.721 . . . . 0.0 112.142 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.291 -1.973 0 C-N-CA 126.766 2.026 . . . . 0.0 114.912 -174.459 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.57 1.736 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 175.038 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 124.994 1.433 . . . . 0.0 113.654 -175.777 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.257 1.464 0 CA-C-O 117.395 -1.288 . . . . 0.0 112.783 -179.425 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.296 0 CA-C-N 121.735 2.061 . . . . 0.0 114.948 179.624 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 C-N-CA 122.148 1.899 . . . . 0.0 113.298 178.099 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.264 1.853 0 C-N-CA 129.771 3.228 . . . . 0.0 112.309 178.907 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.313 -1.018 0 O-C-N 119.445 -2.034 . . . . 0.0 109.553 177.956 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.353 0 CA-C-O 115.526 -2.178 . . . . 0.0 109.184 179.752 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 127.419 2.95 . . . . 0.0 109.355 179.638 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.223 0 O-C-N 120.254 -1.528 . . . . 0.0 112.893 177.18 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 122.026 0.917 . . . . 0.0 113.37 179.007 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.306 -1.287 0 C-N-CA 126.54 1.936 . . . . 0.0 109.233 179.718 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 125.117 1.51 . . . . 0.0 110.218 175.927 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.144 0 C-N-CA 127.077 2.151 . . . . 0.0 114.582 178.845 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 1.988 0 CA-C-O 117.102 -1.943 . . . . 0.0 112.38 178.458 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 118.107 0.954 . . . . 0.0 108.478 179.278 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 176.095 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.246 0.917 0 C-N-CA 123.913 0.885 . . . . 0.0 112.888 -179.533 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.463 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 -175.571 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.31 -1.134 0 C-N-CA 125.021 1.329 . . . . 0.0 108.07 175.085 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 177.27 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.21 -0.977 0 CA-C-N 114.281 -1.327 . . . . 0.0 110.04 -179.901 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-O 116.016 -1.945 . . . . 0.0 112.318 178.8 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.278 -2.537 0 N-CA-C 116.536 2.05 . . . . 0.0 116.536 -174.863 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.602 0 CA-C-O 122.703 1.24 . . . . 0.0 112.297 -178.917 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 122.393 2.062 . . . . 0.0 115.091 -179.567 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 177.654 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.431 0 N-CA-C 115.143 1.534 . . . . 0.0 115.143 178.363 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.105 0 O-C-N 118.362 -2.711 . . . . 0.0 114.606 -179.103 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.29 0 N-CA-C 115.984 1.846 . . . . 0.0 115.984 179.652 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.027 0 CA-C-N 120.275 1.134 . . . . 0.0 114.795 -179.571 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.272 1.029 . . . . 0.0 112.047 179.86 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 O-C-N 125.122 1.514 . . . . 0.0 111.485 -179.754 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.315 0 N-CA-C 116.923 2.194 . . . . 0.0 116.923 179.125 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 127.609 2.364 . . . . 0.0 115.556 -178.078 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.864 0 N-CA-C 117.102 2.26 . . . . 0.0 117.102 -178.512 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.482 -2.014 0 CA-C-O 115.661 -2.744 . . . . 0.0 118.854 177.653 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.959 0 CA-C-N 124.159 3.98 . . . . 0.0 111.34 179.723 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-O 115.684 -2.103 . . . . 0.0 106.266 177.528 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.302 -1.465 0 O-C-N 125.45 1.719 . . . . 0.0 107.672 -178.964 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.497 0 O-C-N 125.823 1.952 . . . . 0.0 111.502 -179.655 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-O 122.102 0.954 . . . . 0.0 110.708 179.502 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.049 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 -179.874 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.266 1.963 0 O-C-N 126.037 2.086 . . . . 0.0 116.234 -179.826 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.806 0 CA-C-O 117.946 -1.026 . . . . 0.0 112.607 -178.288 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.485 1.965 0 N-CA-C 107.787 -2.125 . . . . 0.0 107.787 -178.378 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 125.372 2.51 . . . . 0.0 112.648 -177.791 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.861 0 CA-C-N 110.859 -2.882 . . . . 0.0 110.402 179.182 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 126.362 2.289 . . . . 0.0 105.394 176.634 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.406 0 N-CA-C 117.798 2.518 . . . . 0.0 117.798 -176.586 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.806 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 103.86 -2.645 . . . . 0.0 103.86 177.023 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 CA-C-N 112.032 -2.349 . . . . 0.0 107.994 -179.308 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.254 1.37 0 N-CA-C 118.548 2.179 . . . . 0.0 118.548 -178.234 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.695 0 O-C-N 121.436 -1.037 . . . . 0.0 112.223 -179.639 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.653 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -177.145 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.842 0 CA-C-O 124.261 1.982 . . . . 0.0 110.057 -179.821 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.883 0 CA-C-N 113.428 -1.715 . . . . 0.0 108.369 -178.407 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 C--N 1.318 -0.472 0 CA-C-N 114.074 -1.421 . . . . 0.0 110.157 179.313 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 124.841 0.965 . . . . 0.0 110.023 179.93 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.995 0 CA-C-N 114.367 -1.288 . . . . 0.0 109.357 179.31 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.484 1.232 0 O-C-N 124.464 1.102 . . . . 0.0 110.157 178.862 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.853 0 N-CA-C 119.041 2.376 . . . . 0.0 119.041 -179.65 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.866 0 O-C-N 120.89 -1.359 . . . . 0.0 109.129 179.502 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.302 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 178.583 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.902 0 O-C-N 125.668 1.855 . . . . 0.0 110.269 179.087 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.313 0.578 . . . . 0.0 111.887 -179.176 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 115.743 -2.075 . . . . 0.0 108.832 -177.927 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.896 0 O-C-N 127.215 2.822 . . . . 0.0 110.349 178.705 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 117.701 -1.143 . . . . 0.0 109.614 -179.717 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 O-C-N 128.148 3.405 . . . . 0.0 112.834 -177.734 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.262 0 O-C-N 125.081 1.488 . . . . 0.0 111.778 -178.092 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 123.89 0.876 . . . . 0.0 110.149 178.305 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 118.01 2.596 . . . . 0.0 118.01 175.688 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.311 -1.076 0 C-N-CA 124.086 0.954 . . . . 0.0 109.054 177.503 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 127.461 2.976 . . . . 0.0 111.41 -177.938 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.379 0 C-N-CA 129.991 3.316 . . . . 0.0 108.958 178.31 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.941 0 O-C-N 126.805 2.565 . . . . 0.0 113.786 -178.138 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 115.237 1.569 . . . . 0.0 115.237 -178.364 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 124.736 1.272 . . . . 0.0 109.91 178.517 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.407 0 C-N-CA 123.968 0.907 . . . . 0.0 109.178 179.006 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.857 0 C-N-CA 123.484 0.714 . . . . 0.0 112.727 -178.516 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-O 116.95 -1.5 . . . . 0.0 110.984 -177.838 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 CA-C-O 116.745 -1.598 . . . . 0.0 110.691 -176.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.132 0 CA-C-N 119.559 1.072 . . . . 0.0 112.849 -178.848 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 124.955 1.302 . . . . 0.0 111.663 -178.466 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 125.014 1.446 . . . . 0.0 108.307 -179.596 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 126.532 2.395 . . . . 0.0 111.593 -178.909 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.249 1.057 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.491 177.57 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 -177.715 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 125.683 1.593 . . . . 0.0 111.262 177.387 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.467 0.713 0 O-C-N 121.356 -0.84 . . . . 0.0 114.219 -179.432 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.508 -0.64 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 179.22 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 119.786 -1.821 . . . . 0.0 109.634 -179.359 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 116.336 1.976 . . . . 0.0 116.336 -176.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 125.248 1.592 . . . . 0.0 110.285 -176.639 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 112.507 -2.133 . . . . 0.0 108.347 176.008 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 N-CA-C 104.487 -2.412 . . . . 0.0 104.487 178.468 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 125.377 1.673 . . . . 0.0 108.299 -177.7 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.268 0 O-C-N 125.865 1.978 . . . . 0.0 110.957 -175.541 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.445 0 O-C-N 126.321 2.748 . . . . 0.0 115.015 -176.521 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.528 0 O-C-N 120.46 -1.4 . . . . 0.0 113.783 177.722 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.256 1.41 0 N-CA-C 115.597 1.703 . . . . 0.0 115.597 -176.958 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.264 1.818 0 CA-C-O 115.104 -2.379 . . . . 0.0 112.748 -178.691 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.609 0 CA-C-N 120.896 1.68 . . . . 0.0 114.854 -177.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.053 0 C-N-CA 127.021 2.128 . . . . 0.0 111.221 -179.556 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 O-C-N 126.301 2.251 . . . . 0.0 110.46 -179.768 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 125.374 1.47 . . . . 0.0 107.089 177.914 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.263 1.77 0 C-N-CA 126.511 1.924 . . . . 0.0 112.596 179.019 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.155 0 CA-C-N 113.259 -1.791 . . . . 0.0 111.405 -177.673 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.132 0 C-N-CA 123.827 0.851 . . . . 0.0 113.15 -179.117 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 104.161 -2.533 . . . . 0.0 104.161 177.446 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 104.88 -2.267 . . . . 0.0 104.88 178.638 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 128.492 3.62 . . . . 0.0 116.963 -175.576 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.329 0 N-CA-C 105.333 -3.107 . . . . 0.0 105.333 177.082 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.273 2.341 0 O-C-N 128.484 3.108 . . . . 0.0 106.533 179.788 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.818 0 C-N-CA 118.935 -1.106 . . . . 0.0 112.715 -177.612 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.766 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 177.505 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.852 0 CA-C-O 122.487 1.137 . . . . 0.0 108.066 176.399 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.29 0 C-N-CA 121.504 1.469 . . . . 0.0 111.913 -179.794 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 177.042 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 105.365 -2.087 . . . . 0.0 105.365 177.509 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 122.837 1.303 . . . . 0.0 110.157 -176.868 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.25 1.137 0 CA-C-N 112.649 -2.069 . . . . 0.0 112.781 179.385 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.212 0 CA-C-N 118.174 0.987 . . . . 0.0 110.737 179.693 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.958 0 O-C-N 123.508 1.268 . . . . 0.0 111.631 177.196 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 103.181 -2.896 . . . . 0.0 103.181 178.562 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.336 0 O-C-N 126.886 2.616 . . . . 0.0 112.206 -178.772 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.68 0 N-CA-C 107.543 -1.753 . . . . 0.0 107.543 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.944 0 O-C-N 128.097 3.373 . . . . 0.0 103.009 -179.544 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.266 1.96 0 CA-C-O 116.003 -1.951 . . . . 0.0 108.825 -178.405 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.836 0 N-CA-C 104.099 -3.601 . . . . 0.0 104.099 179.788 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.501 0 CA-C-O 115.654 -2.117 . . . . 0.0 109.482 -177.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.718 0 N-CA-C 103.72 -2.696 . . . . 0.0 103.72 -178.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.066 0 O-C-N 127.74 3.15 . . . . 0.0 113.498 -177.56 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 106.314 -1.736 . . . . 0.0 106.314 -178.291 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.949 0 O-C-N 126.285 2.241 . . . . 0.0 107.597 -179.129 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.429 -2.218 . . . . 0.0 110.271 -177.414 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.312 0 N-CA-C 100.625 -3.842 . . . . 0.0 100.625 -177.49 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.28 0 CA-C-O 115.254 -2.061 . . . . 0.0 112.128 179.546 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.805 0 CA-C-N 120.7 1.591 . . . . 0.0 109.54 177.799 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.416 0 CA-C-N 112.873 -1.967 . . . . 0.0 110.563 178.309 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.432 -1.328 0 O-C-N 120.917 -1.114 . . . . 0.0 110.455 178.533 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.146 0 O-C-N 125.799 1.937 . . . . 0.0 110.259 -178.385 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.083 0 O-C-N 126.997 2.685 . . . . 0.0 107.02 178.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.601 0 CA-C-O 122.16 0.981 . . . . 0.0 112.905 177.905 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.891 0 O-C-N 117.487 -3.258 . . . . 0.0 114.59 179.675 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.791 0 O-C-N 125.642 1.839 . . . . 0.0 108.14 179.478 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.299 -1.607 1 O-C-N 129.232 4.083 . . . . 0.0 109.749 179.203 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 120.057 -1.652 . . . . 0.0 111.849 179.119 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.543 0 C-N-CA 125.138 1.375 . . . . 0.0 112.733 178.754 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.056 0 C-N-CA 128.005 2.717 . . . . 0.0 114.271 -179.45 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.273 2.324 0 C-N-CA 128.284 2.634 . . . . 0.0 111.503 -178.764 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 C-N-CA 117.626 -1.63 . . . . 0.0 107.397 179.189 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.108 0 CA-C-O 117.227 -1.368 . . . . 0.0 108.978 -179.238 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.309 0 C-N-CA 122.874 2.383 . . . . 0.0 111.82 178.205 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 332' ' ' ASN . . . . . . . . . . . . . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.249 1.033 0 O-C-N 118.656 -2.527 . . . . 0.0 115.7 -176.746 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.311 -1.072 0 C-N-CA 126.635 1.974 . . . . 0.0 110.981 179.823 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.939 0 C-N-CA 123.464 2.776 . . . . 0.0 115.504 176.334 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-N 121.265 1.848 . . . . 0.0 113.457 177.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 124.988 1.315 . . . . 0.0 107.995 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.85 0 C-N-CA 119.073 -1.051 . . . . 0.0 109.762 179.147 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.556 -0.715 . . . . 0.0 109.29 179.107 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 114.222 -1.354 . . . . 0.0 109.747 179.836 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 119.59 1.086 . . . . 0.0 111.973 -177.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-O 117.087 -1.435 . . . . 0.0 111.864 -178.071 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 114.994 1.479 . . . . 0.0 114.994 -178.888 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.256 1.447 0 CA-C-N 114.566 -1.197 . . . . 0.0 109.189 179.773 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-O 124.906 2.289 . . . . 0.0 109.397 178.302 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.025 0 CA-C-N 112.738 -2.028 . . . . 0.0 111.291 178.799 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.745 0 CA-C-N 121.147 1.794 . . . . 0.0 112.706 179.863 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.318 0 CA-C-O 118.419 -0.801 . . . . 0.0 112.253 -176.28 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 O-C-N 124.091 0.87 . . . . 0.0 109.101 -179.308 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-O 115.227 -2.321 . . . . 0.0 110.869 -178.087 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.309 -1.186 0 O-C-N 127.578 3.049 . . . . 0.0 111.044 178.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.799 0 C-N-CA 127.382 2.273 . . . . 0.0 113.779 -177.199 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 125.97 2.044 . . . . 0.0 112.215 -179.938 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.358 0 CA-C-N 121.292 1.86 . . . . 0.0 114.819 179.832 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.589 0 C-N-CA 124.784 1.234 . . . . 0.0 111.418 179.587 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 178.879 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.226 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 178.248 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 O-C-N 124.822 1.327 . . . . 0.0 110.033 -178.708 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 113.665 -1.607 . . . . 0.0 110.986 178.391 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 127.157 2.183 . . . . 0.0 112.515 -178.504 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 113.702 -1.59 . . . . 0.0 112.011 179.745 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-O 116.756 -1.592 . . . . 0.0 111.682 -178.29 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 126.547 2.404 . . . . 0.0 107.592 178.852 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.06 0 C-N-CA 126.402 1.881 . . . . 0.0 113.171 179.236 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.618 -179.203 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-O 122.341 1.067 . . . . 0.0 108.25 178.08 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 116.611 -1.662 . . . . 0.0 112.165 179.036 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.519 0 N-CA-C 115.846 1.795 . . . . 0.0 115.846 -179.732 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 O-C-N 124.514 1.134 . . . . 0.0 111.131 -177.904 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.13 0 O-C-N 125.484 1.74 . . . . 0.0 111.372 -178.679 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.089 0 C-N-CA 127.235 2.214 . . . . 0.0 107.475 179.103 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 500' ' ' MXT . . . . . 0.869 ' O11' H232 ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 600' ' ' MXT . . . . . 0.875 H232 ' O11' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 1.205 ' H ' ' C11' ' A' ' 500' ' ' MXT . 26.5 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.286 0 O-C-N 125.664 1.852 . . . . 0.0 106.88 172.393 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.716 1 O-C-N 129.132 4.227 . . . . 0.0 107.985 -177.456 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.934 0 CA-C-N 121.034 1.743 . . . . 0.0 112.634 -178.39 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.188 0 CA-C-N 114.217 -1.356 . . . . 0.0 110.939 -178.594 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.183 0 C-N-CA 126.961 2.105 . . . . 0.0 110.213 -178.318 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.256 1.422 0 O-C-N 120.855 -1.153 . . . . 0.0 109.834 179.684 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.577 0 N-CA-C 105.927 -1.879 . . . . 0.0 105.927 -177.519 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 127.103 2.752 . . . . 0.0 107.816 -179.787 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.766 0 CA-C-O 115.458 -2.21 . . . . 0.0 106.451 176.961 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.556 1 O-C-N 130.669 4.981 . . . . 0.0 106.254 178.615 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.125 0 CA-C-O 113.737 -3.03 . . . . 0.0 105.877 -179.812 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-N 121.153 1.797 . . . . 0.0 110.053 -177.777 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 125.857 1.973 . . . . 0.0 105.773 -176.575 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.254 1.338 0 O-C-N 127.472 2.982 . . . . 0.0 112.736 -176.341 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.97 0 O-C-N 127.163 2.789 . . . . 0.0 112.252 177.645 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 122.135 2.243 . . . . 0.0 111.916 -179.653 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.331 -0.209 0 O-C-N 126.623 2.452 . . . . 0.0 109.7 -174.852 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.717 0 C-N-CA 124.7 3.6 . . . . 0.0 111.954 179.738 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.855 0 CA-C-N 111.704 -2.498 . . . . 0.0 106.735 179.122 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.315 -1.233 0 O-C-N 127.516 3.377 . . . . 0.0 107.906 178.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.501 0 CA-C-O 116.125 -1.698 . . . . 0.0 108.331 178.88 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.428 -1.566 0 O-C-N 127.114 2.759 . . . . 0.0 112.175 179.919 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.291 -1.975 0 C-N-CA 126.725 2.01 . . . . 0.0 114.907 -174.473 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.568 1.665 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 175.025 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 124.854 1.346 . . . . 0.0 113.65 -175.807 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.441 0 CA-C-O 117.388 -1.292 . . . . 0.0 112.743 -179.375 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.253 1.265 0 CA-C-N 121.781 2.082 . . . . 0.0 114.935 179.615 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.482 0 C-N-CA 122.157 1.905 . . . . 0.0 113.289 178.124 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.902 0 C-N-CA 129.777 3.231 . . . . 0.0 112.26 178.905 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.311 -1.072 0 O-C-N 119.408 -2.058 . . . . 0.0 109.495 177.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.559 1.308 0 CA-C-O 115.598 -2.144 . . . . 0.0 109.268 179.701 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 127.346 2.904 . . . . 0.0 109.366 179.587 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.211 0 O-C-N 120.278 -1.514 . . . . 0.0 112.902 177.163 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 122.057 0.932 . . . . 0.0 113.383 179.027 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.25 0 C-N-CA 126.469 1.908 . . . . 0.0 109.242 179.725 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 125.091 1.495 . . . . 0.0 110.22 175.907 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.15 0 C-N-CA 127.07 2.148 . . . . 0.0 114.606 178.804 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.017 0 CA-C-O 117.063 -1.965 . . . . 0.0 112.366 178.478 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 118.123 0.962 . . . . 0.0 108.493 179.306 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 107.27 -1.382 . . . . 0.0 107.27 176.007 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.246 0.917 0 C-N-CA 123.906 0.883 . . . . 0.0 112.871 -179.472 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.45 0 N-CA-C 114.986 1.476 . . . . 0.0 114.986 -175.588 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.31 -1.129 0 C-N-CA 125.013 1.325 . . . . 0.0 108.115 175.102 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.315 -0.897 0 O-C-N 124.52 1.138 . . . . 0.0 107.945 177.286 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.956 0 CA-C-N 114.32 -1.309 . . . . 0.0 110.066 -179.903 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-O 116.042 -1.932 . . . . 0.0 112.351 178.771 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.569 0 N-CA-C 116.585 2.068 . . . . 0.0 116.585 -174.876 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.59 0 CA-C-O 122.749 1.261 . . . . 0.0 112.296 -178.959 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 122.385 2.057 . . . . 0.0 115.102 -179.542 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 177.588 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.418 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 178.337 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.106 0 O-C-N 118.324 -2.735 . . . . 0.0 114.606 -179.078 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.329 0 N-CA-C 115.97 1.841 . . . . 0.0 115.97 179.705 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.502 -1.08 0 CA-C-N 120.316 1.148 . . . . 0.0 114.864 -179.639 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.284 1.034 . . . . 0.0 112.013 179.864 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 O-C-N 125.097 1.498 . . . . 0.0 111.525 -179.764 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.311 0 N-CA-C 116.914 2.191 . . . . 0.0 116.914 179.083 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 127.651 2.38 . . . . 0.0 115.577 -178.055 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.246 0.886 0 N-CA-C 117.123 2.268 . . . . 0.0 117.123 -178.565 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.08 0 CA-C-O 115.683 -2.732 . . . . 0.0 118.848 177.621 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.965 0 CA-C-N 124.184 3.992 . . . . 0.0 111.36 179.709 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 115.595 -2.145 . . . . 0.0 106.295 177.528 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.505 0 O-C-N 125.519 1.762 . . . . 0.0 107.672 -179.032 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.461 0 O-C-N 125.773 1.92 . . . . 0.0 111.504 -179.66 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-O 122.115 0.959 . . . . 0.0 110.694 179.494 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.058 0 N-CA-C 106.763 -1.569 . . . . 0.0 106.763 -179.89 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 1.992 0 O-C-N 126.003 2.064 . . . . 0.0 116.208 -179.831 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.783 0 CA-C-O 117.871 -1.062 . . . . 0.0 112.582 -178.268 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.485 1.929 0 N-CA-C 107.822 -2.111 . . . . 0.0 107.822 -178.373 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 125.359 2.504 . . . . 0.0 112.697 -177.851 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.825 0 CA-C-N 110.916 -2.856 . . . . 0.0 110.43 179.196 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.314 -0.962 0 O-C-N 126.371 2.294 . . . . 0.0 105.386 176.644 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.425 0 N-CA-C 117.785 2.513 . . . . 0.0 117.785 -176.57 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 178.764 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 103.821 -2.659 . . . . 0.0 103.821 177.027 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 CA-C-N 111.992 -2.367 . . . . 0.0 108.021 -179.332 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.254 1.346 0 N-CA-C 118.541 2.177 . . . . 0.0 118.541 -178.248 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.707 0 O-C-N 121.433 -1.039 . . . . 0.0 112.258 -179.708 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.667 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -177.171 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.495 1.811 0 CA-C-O 124.222 1.963 . . . . 0.0 110.059 -179.771 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.875 0 CA-C-N 113.438 -1.71 . . . . 0.0 108.388 -178.43 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 C--N 1.318 -0.468 0 CA-C-N 114.041 -1.436 . . . . 0.0 110.139 179.317 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 124.86 0.976 . . . . 0.0 110.017 179.904 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 1.005 0 CA-C-N 114.375 -1.284 . . . . 0.0 109.347 179.308 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.179 0 O-C-N 124.464 1.102 . . . . 0.0 110.195 178.89 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.812 0 N-CA-C 119.065 2.386 . . . . 0.0 119.065 -179.684 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.829 0 O-C-N 120.945 -1.326 . . . . 0.0 109.102 179.497 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 178.63 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.266 1.925 0 O-C-N 125.687 1.867 . . . . 0.0 110.265 179.119 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.288 0.566 . . . . 0.0 111.858 -179.162 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 115.706 -2.092 . . . . 0.0 108.865 -177.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.905 0 O-C-N 127.232 2.833 . . . . 0.0 110.375 178.67 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 117.65 -1.167 . . . . 0.0 109.556 -179.673 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 O-C-N 128.116 3.385 . . . . 0.0 112.864 -177.77 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.256 0 O-C-N 125.114 1.509 . . . . 0.0 111.717 -178.059 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 123.892 0.877 . . . . 0.0 110.213 178.261 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.96 0 N-CA-C 118.065 2.617 . . . . 0.0 118.065 175.7 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.039 0 C-N-CA 124.074 0.949 . . . . 0.0 109.026 177.562 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 127.473 2.983 . . . . 0.0 111.349 -177.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.382 0 C-N-CA 129.944 3.298 . . . . 0.0 108.992 178.308 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.246 0.898 0 O-C-N 126.779 2.55 . . . . 0.0 113.758 -178.104 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 -178.407 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 124.719 1.262 . . . . 0.0 109.929 178.529 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.303 -1.446 0 C-N-CA 124.026 0.93 . . . . 0.0 109.199 178.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.868 0 C-N-CA 123.47 0.708 . . . . 0.0 112.716 -178.481 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-O 117.045 -1.455 . . . . 0.0 111.009 -177.823 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 CA-C-O 116.733 -1.603 . . . . 0.0 110.712 -176.939 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.175 0 CA-C-N 119.581 1.082 . . . . 0.0 112.853 -178.89 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 124.944 1.298 . . . . 0.0 111.711 -178.51 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 125.063 1.477 . . . . 0.0 108.29 -179.586 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.741 0 O-C-N 126.543 2.402 . . . . 0.0 111.62 -178.933 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 0.992 0 C-N-CA 120.213 -0.595 . . . . 0.0 110.496 177.57 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 -177.757 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 125.705 1.602 . . . . 0.0 111.243 177.378 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 C--O 1.243 0.679 0 O-C-N 121.32 -0.862 . . . . 0.0 114.253 -179.393 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.617 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 179.218 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 119.841 -1.787 . . . . 0.0 109.689 -179.413 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.878 0 N-CA-C 116.308 1.966 . . . . 0.0 116.308 -176.905 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 125.246 1.591 . . . . 0.0 110.274 -176.589 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 112.501 -2.136 . . . . 0.0 108.273 176.003 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 N-CA-C 104.499 -2.408 . . . . 0.0 104.499 178.486 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 125.362 1.664 . . . . 0.0 108.262 -177.694 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.263 0 O-C-N 125.869 1.981 . . . . 0.0 110.936 -175.498 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.453 0 O-C-N 126.265 2.718 . . . . 0.0 115.03 -176.46 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.505 0 O-C-N 120.403 -1.436 . . . . 0.0 113.769 177.682 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.358 0 N-CA-C 115.602 1.704 . . . . 0.0 115.602 -176.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.263 1.813 0 CA-C-O 115.103 -2.38 . . . . 0.0 112.787 -178.753 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.623 0 CA-C-N 120.881 1.673 . . . . 0.0 114.852 -177.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 127.036 2.134 . . . . 0.0 111.233 -179.59 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 O-C-N 126.206 2.191 . . . . 0.0 110.523 -179.795 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 125.321 1.448 . . . . 0.0 107.106 177.824 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.261 1.708 0 C-N-CA 126.575 1.95 . . . . 0.0 112.597 179.002 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.252 1.197 0 CA-C-N 113.207 -1.815 . . . . 0.0 111.421 -177.705 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.309 -1.177 0 C-N-CA 123.845 0.858 . . . . 0.0 113.151 -179.1 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 104.118 -2.549 . . . . 0.0 104.118 177.439 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 104.845 -2.28 . . . . 0.0 104.845 178.649 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 128.495 3.622 . . . . 0.0 116.952 -175.57 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.32 0 N-CA-C 105.323 -3.111 . . . . 0.0 105.323 177.071 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.273 2.325 0 O-C-N 128.459 3.093 . . . . 0.0 106.548 179.783 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.848 0 C-N-CA 118.92 -1.112 . . . . 0.0 112.712 -177.58 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.756 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 177.547 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.244 0.795 0 CA-C-O 122.486 1.136 . . . . 0.0 108.049 176.442 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.283 0 C-N-CA 121.491 1.461 . . . . 0.0 111.873 -179.735 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 176.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 105.344 -2.095 . . . . 0.0 105.344 177.494 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 122.777 1.275 . . . . 0.0 110.136 -176.9 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.182 0 CA-C-N 112.665 -2.061 . . . . 0.0 112.799 -179.628 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.202 0 CA-C-N 118.167 0.983 . . . . 0.0 110.759 179.877 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.956 0 O-C-N 123.514 1.27 . . . . 0.0 111.669 177.402 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 103.144 -2.91 . . . . 0.0 103.144 178.451 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.306 -1.303 0 O-C-N 126.848 2.593 . . . . 0.0 112.218 -178.69 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.44 -1.645 0 N-CA-C 107.566 -1.744 . . . . 0.0 107.566 179.871 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.29 -1.979 0 O-C-N 128.126 3.391 . . . . 0.0 102.991 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.989 0 CA-C-O 115.982 -1.961 . . . . 0.0 108.809 -178.948 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 C--N 1.293 -1.813 0 N-CA-C 104.094 -3.602 . . . . 0.0 104.094 179.486 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.257 1.495 0 CA-C-O 115.693 -2.099 . . . . 0.0 109.48 -178.915 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.714 0 N-CA-C 103.701 -2.703 . . . . 0.0 103.701 -179.225 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.498 -1.054 0 O-C-N 127.75 3.156 . . . . 0.0 113.562 -176.972 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 106.338 -1.727 . . . . 0.0 106.338 -178.565 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.945 0 O-C-N 126.281 2.238 . . . . 0.0 107.662 -178.927 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.386 -2.244 . . . . 0.0 110.271 -176.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.329 0 N-CA-C 100.637 -3.838 . . . . 0.0 100.637 179.533 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.445 -1.329 0 CA-C-O 115.26 -2.058 . . . . 0.0 112.131 -178.913 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.804 0 CA-C-N 120.693 1.588 . . . . 0.0 109.617 177.752 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.423 0 CA-C-N 112.866 -1.97 . . . . 0.0 110.621 178.269 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.298 0 O-C-N 120.982 -1.074 . . . . 0.0 110.417 178.565 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.173 0 O-C-N 125.846 1.966 . . . . 0.0 110.262 -178.36 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.289 -2.055 0 O-C-N 127.068 2.73 . . . . 0.0 107.082 178.943 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.634 0 CA-C-O 122.229 1.014 . . . . 0.0 112.957 177.9 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.89 0 O-C-N 117.419 -3.301 . . . . 0.0 114.535 179.666 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.573 1.832 0 O-C-N 125.578 1.799 . . . . 0.0 108.129 179.566 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.567 1 O-C-N 129.27 4.106 . . . . 0.0 109.78 179.173 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 120.034 -1.666 . . . . 0.0 111.853 179.056 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 125.091 1.356 . . . . 0.0 112.773 178.753 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.048 0 C-N-CA 128.042 2.734 . . . . 0.0 114.303 -178.551 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.249 0 C-N-CA 128.258 2.623 . . . . 0.0 111.491 -178.63 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 C-N-CA 117.565 -1.654 . . . . 0.0 107.392 179.923 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.1 0 CA-C-O 117.291 -1.338 . . . . 0.0 108.975 -179.91 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.294 0 C-N-CA 122.864 2.376 . . . . 0.0 111.778 179.077 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 332' ' ' ASN . . . . . . . . . . . . . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.022 0 O-C-N 118.627 -2.546 . . . . 0.0 115.702 -178.122 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.311 -1.074 0 C-N-CA 126.665 1.986 . . . . 0.0 110.95 179.64 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.506 -0.894 0 C-N-CA 123.422 2.748 . . . . 0.0 115.489 -179.148 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.703 0 CA-C-N 121.29 1.859 . . . . 0.0 113.451 177.962 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 124.949 1.3 . . . . 0.0 107.986 -179.943 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.86 0 C-N-CA 119.079 -1.048 . . . . 0.0 109.756 179.112 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.555 -0.715 . . . . 0.0 109.308 179.107 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 114.237 -1.347 . . . . 0.0 109.692 179.85 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 119.64 1.109 . . . . 0.0 111.909 -177.919 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.025 0 CA-C-O 117.09 -1.433 . . . . 0.0 111.864 -178.004 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 115.076 1.51 . . . . 0.0 115.076 -178.959 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.448 0 CA-C-N 114.554 -1.203 . . . . 0.0 109.208 179.727 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-O 124.847 2.261 . . . . 0.0 109.43 178.263 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.036 0 CA-C-N 112.747 -2.024 . . . . 0.0 111.256 178.806 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 121.136 1.789 . . . . 0.0 112.762 179.878 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.293 0 CA-C-O 118.473 -0.775 . . . . 0.0 112.255 -176.263 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 O-C-N 124.079 0.862 . . . . 0.0 109.108 -179.339 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-O 115.174 -2.346 . . . . 0.0 110.855 -178.07 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.211 0 O-C-N 127.591 3.057 . . . . 0.0 111.015 179.005 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.799 0 C-N-CA 127.383 2.273 . . . . 0.0 113.768 -177.167 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 126.001 2.063 . . . . 0.0 112.193 -179.919 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.253 1.344 0 CA-C-N 121.28 1.855 . . . . 0.0 114.824 179.841 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.58 0 C-N-CA 124.784 1.233 . . . . 0.0 111.411 179.596 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 178.942 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 178.242 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.94 0 O-C-N 124.792 1.308 . . . . 0.0 110.003 -178.628 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-N 113.619 -1.628 . . . . 0.0 111.045 178.368 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 127.151 2.181 . . . . 0.0 112.539 -178.602 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 113.657 -1.61 . . . . 0.0 112.012 179.797 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-O 116.762 -1.59 . . . . 0.0 111.673 -178.303 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 126.497 2.373 . . . . 0.0 107.579 178.873 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.058 0 C-N-CA 126.392 1.877 . . . . 0.0 113.148 179.257 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.643 -179.217 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.172 0 O-C-N 124.444 1.09 . . . . 0.0 108.211 178.128 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 116.542 -1.694 . . . . 0.0 112.098 179.059 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.516 0 N-CA-C 115.908 1.818 . . . . 0.0 115.908 -179.76 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 O-C-N 124.456 1.098 . . . . 0.0 111.115 -177.908 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.129 0 O-C-N 125.421 1.701 . . . . 0.0 111.398 -178.7 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.051 0 C-N-CA 127.236 2.214 . . . . 0.0 107.485 179.089 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 500' ' ' MXT . . . . . 1.205 ' C11' ' H ' ' A' ' 41' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 600' ' ' MXT . . . . . 0.737 ' O12' H232 ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.456 ' O ' H231 ' A' ' 500' ' ' MXT . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.582 ' CA ' H122 ' A' ' 500' ' ' MXT . 13.9 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.783 ' H ' H122 ' A' ' 500' ' ' MXT . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.287 0 O-C-N 125.664 1.852 . . . . 0.0 106.866 169.552 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.779 1 O-C-N 129.2 4.263 . . . . 0.0 107.979 -175.836 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.936 0 CA-C-N 121.006 1.73 . . . . 0.0 112.61 -178.402 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.192 0 CA-C-N 114.2 -1.364 . . . . 0.0 110.907 -177.47 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.171 0 C-N-CA 126.982 2.113 . . . . 0.0 110.241 -177.188 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.456 0 O-C-N 120.859 -1.151 . . . . 0.0 109.824 177.018 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.569 0 N-CA-C 105.961 -1.866 . . . . 0.0 105.961 -178.2 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 127.128 2.767 . . . . 0.0 107.834 178.254 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.774 0 CA-C-O 115.444 -2.217 . . . . 0.0 106.47 178.396 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 C--N 1.278 -2.523 1 O-C-N 130.667 4.98 . . . . 0.0 106.356 177.465 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.134 0 CA-C-O 113.765 -3.017 . . . . 0.0 105.853 -179.78 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.451 0 CA-C-N 121.126 1.785 . . . . 0.0 110.05 -177.778 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.769 0 O-C-N 125.853 1.971 . . . . 0.0 105.744 -176.562 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.361 0 O-C-N 127.497 2.998 . . . . 0.0 112.716 -176.364 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.94 0 O-C-N 127.206 2.816 . . . . 0.0 112.241 177.678 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.923 0 O-C-N 119.057 -2.277 . . . . 0.0 111.889 -179.656 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--O 1.225 -0.218 0 O-C-N 126.626 2.453 . . . . 0.0 109.701 -174.869 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.741 0 C-N-CA 124.656 3.571 . . . . 0.0 111.979 179.669 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.828 0 CA-C-N 111.747 -2.478 . . . . 0.0 106.757 179.147 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.251 0 O-C-N 127.539 3.389 . . . . 0.0 107.927 178.974 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.329 -0.493 0 C-N-CA 121.854 1.702 . . . . 0.0 108.327 178.841 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.598 0 O-C-N 127.02 2.7 . . . . 0.0 112.179 179.92 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.993 0 C-N-CA 126.764 2.026 . . . . 0.0 114.889 -174.483 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.71 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 174.997 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 124.865 1.353 . . . . 0.0 113.661 -175.795 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.257 1.449 0 CA-C-O 117.391 -1.29 . . . . 0.0 112.788 -179.445 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.253 1.279 0 CA-C-N 121.725 2.057 . . . . 0.0 114.967 179.577 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.311 -1.427 0 C-N-CA 122.153 1.902 . . . . 0.0 113.31 178.108 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.905 0 C-N-CA 129.807 3.243 . . . . 0.0 112.23 178.934 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.065 0 O-C-N 119.434 -2.041 . . . . 0.0 109.522 177.987 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.559 1.319 0 CA-C-O 115.567 -2.159 . . . . 0.0 109.269 179.697 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 127.405 2.94 . . . . 0.0 109.385 179.54 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.234 0 O-C-N 120.267 -1.521 . . . . 0.0 112.883 177.185 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-O 122.015 0.912 . . . . 0.0 113.335 179.077 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.273 0 C-N-CA 126.478 1.911 . . . . 0.0 109.237 179.712 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 125.131 1.519 . . . . 0.0 110.276 175.858 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.138 0 C-N-CA 127.107 2.163 . . . . 0.0 114.573 178.863 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 1.973 0 CA-C-O 117.136 -1.924 . . . . 0.0 112.388 178.468 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-N 118.114 0.957 . . . . 0.0 108.532 179.25 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 107.251 -1.388 . . . . 0.0 107.251 176.054 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.97 0 C-N-CA 123.953 0.901 . . . . 0.0 112.849 -179.508 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.499 0 N-CA-C 114.992 1.479 . . . . 0.0 114.992 -175.52 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.31 -1.133 0 C-N-CA 125.041 1.337 . . . . 0.0 108.08 175.103 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 177.285 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.21 -0.978 0 CA-C-N 114.293 -1.321 . . . . 0.0 110.104 -179.899 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-O 116.018 -1.944 . . . . 0.0 112.315 178.833 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.544 0 N-CA-C 116.56 2.059 . . . . 0.0 116.56 -174.917 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.601 0 CA-C-O 122.709 1.242 . . . . 0.0 112.298 -178.904 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 122.375 2.05 . . . . 0.0 115.159 -179.574 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 177.62 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.404 0 N-CA-C 115.174 1.546 . . . . 0.0 115.174 178.333 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.11 0 O-C-N 118.308 -2.745 . . . . 0.0 114.634 -179.078 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.304 0 N-CA-C 115.929 1.826 . . . . 0.0 115.929 179.694 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.051 0 CA-C-N 120.297 1.142 . . . . 0.0 114.887 -179.609 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.318 1.047 . . . . 0.0 112.012 179.873 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 O-C-N 125.095 1.497 . . . . 0.0 111.534 -179.781 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.328 0 N-CA-C 116.924 2.194 . . . . 0.0 116.924 179.107 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 127.662 2.385 . . . . 0.0 115.546 -178.04 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.246 0.875 0 N-CA-C 117.098 2.259 . . . . 0.0 117.098 -178.505 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.482 -2.024 0 CA-C-O 115.65 -2.75 . . . . 0.0 118.806 177.658 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.29 -1.999 1 CA-C-N 124.219 4.01 . . . . 0.0 111.389 179.711 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-O 115.652 -2.118 . . . . 0.0 106.282 177.469 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.302 -1.496 0 O-C-N 125.495 1.747 . . . . 0.0 107.634 -178.924 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.256 1.433 0 O-C-N 125.792 1.932 . . . . 0.0 111.48 -179.698 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-O 122.063 0.935 . . . . 0.0 110.688 179.456 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.043 0 N-CA-C 106.732 -1.581 . . . . 0.0 106.732 -179.897 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.266 1.96 0 O-C-N 125.978 2.049 . . . . 0.0 116.187 -179.779 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.777 0 CA-C-O 117.925 -1.036 . . . . 0.0 112.605 -178.253 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.485 1.959 0 N-CA-C 107.78 -2.128 . . . . 0.0 107.78 -178.43 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 125.383 2.516 . . . . 0.0 112.683 -177.831 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.244 0.807 0 CA-C-N 110.878 -2.873 . . . . 0.0 110.434 179.199 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.314 -0.949 0 O-C-N 126.377 2.298 . . . . 0.0 105.422 176.649 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.413 0 N-CA-C 117.787 2.514 . . . . 0.0 117.787 -176.53 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 178.809 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 103.875 -2.639 . . . . 0.0 103.875 177.061 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 CA-C-N 111.991 -2.368 . . . . 0.0 108.014 -179.305 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.29 0 N-CA-C 118.55 2.18 . . . . 0.0 118.55 -178.24 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.243 0.736 0 O-C-N 121.456 -1.026 . . . . 0.0 112.25 -179.665 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.614 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -177.223 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.828 0 CA-C-O 124.253 1.978 . . . . 0.0 110.025 -179.747 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.872 0 CA-C-N 113.391 -1.731 . . . . 0.0 108.37 -178.35 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.464 0.5 0 CA-C-N 114.029 -1.441 . . . . 0.0 110.195 179.273 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 124.821 0.953 . . . . 0.0 110.021 179.915 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.981 0 CA-C-N 114.419 -1.264 . . . . 0.0 109.349 179.294 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.187 0 O-C-N 124.508 1.13 . . . . 0.0 110.223 178.853 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.833 0 N-CA-C 119.03 2.372 . . . . 0.0 119.03 -179.667 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.214 -0.812 0 O-C-N 120.871 -1.37 . . . . 0.0 109.109 179.496 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 178.605 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.898 0 O-C-N 125.719 1.887 . . . . 0.0 110.251 179.168 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.312 0.577 . . . . 0.0 111.911 -179.189 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 115.708 -2.092 . . . . 0.0 108.813 -177.985 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.894 0 O-C-N 127.285 2.866 . . . . 0.0 110.366 178.746 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 117.665 -1.159 . . . . 0.0 109.571 -179.685 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 O-C-N 128.134 3.396 . . . . 0.0 112.798 -177.714 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.252 1.229 0 O-C-N 125.121 1.513 . . . . 0.0 111.754 -178.057 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 123.831 0.852 . . . . 0.0 110.207 178.275 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.292 -1.927 0 N-CA-C 118.007 2.595 . . . . 0.0 118.007 175.619 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.313 -1.016 0 C-N-CA 124.081 0.952 . . . . 0.0 109.127 177.521 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 127.415 2.947 . . . . 0.0 111.34 -177.957 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 129.968 3.307 . . . . 0.0 108.992 178.326 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.246 0.898 0 O-C-N 126.795 2.559 . . . . 0.0 113.747 -178.123 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 -178.365 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 124.743 1.277 . . . . 0.0 109.911 178.582 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.303 -1.422 0 C-N-CA 124.001 0.92 . . . . 0.0 109.212 178.983 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.87 0 C-N-CA 123.465 0.706 . . . . 0.0 112.698 -178.414 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-O 116.993 -1.479 . . . . 0.0 110.964 -177.838 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 CA-C-O 116.756 -1.592 . . . . 0.0 110.666 -176.921 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.252 1.197 0 CA-C-N 119.593 1.088 . . . . 0.0 112.838 -178.849 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 125.001 1.32 . . . . 0.0 111.697 -178.512 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 125.063 1.477 . . . . 0.0 108.279 -179.592 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 126.553 2.408 . . . . 0.0 111.654 -178.955 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 0.989 0 C-N-CA 120.18 -0.608 . . . . 0.0 110.501 177.576 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 -177.743 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.532 0 C-N-CA 125.676 1.591 . . . . 0.0 111.219 177.375 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 C--O 1.243 0.672 0 O-C-N 121.31 -0.869 . . . . 0.0 114.211 -179.397 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.617 0 N-CA-C 113.237 0.828 . . . . 0.0 113.237 179.229 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.653 0 O-C-N 119.846 -1.784 . . . . 0.0 109.634 -179.34 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.893 0 N-CA-C 116.426 2.01 . . . . 0.0 116.426 -177.008 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 125.323 1.639 . . . . 0.0 110.305 -176.62 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 112.588 -2.096 . . . . 0.0 108.273 176.055 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 N-CA-C 104.527 -2.398 . . . . 0.0 104.527 178.454 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 125.388 1.68 . . . . 0.0 108.298 -177.653 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.292 0 O-C-N 125.931 2.019 . . . . 0.0 111.021 -175.608 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.456 0 O-C-N 126.285 2.729 . . . . 0.0 115.04 -176.524 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.51 0 O-C-N 120.435 -1.415 . . . . 0.0 113.848 177.67 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.256 1.406 0 N-CA-C 115.616 1.71 . . . . 0.0 115.616 -176.991 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.263 1.803 0 CA-C-O 115.042 -2.409 . . . . 0.0 112.717 -178.649 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.261 1.665 0 CA-C-N 120.932 1.697 . . . . 0.0 114.807 -177.946 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.051 0 C-N-CA 127.063 2.145 . . . . 0.0 111.197 -179.523 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 126.188 2.18 . . . . 0.0 110.5 -179.784 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 107.028 -1.471 . . . . 0.0 107.028 177.902 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.747 0 C-N-CA 126.554 1.942 . . . . 0.0 112.61 179.041 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.175 0 CA-C-N 113.249 -1.796 . . . . 0.0 111.373 -177.682 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.309 -1.165 0 C-N-CA 123.833 0.853 . . . . 0.0 113.171 -179.071 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 104.152 -2.536 . . . . 0.0 104.152 177.465 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 104.824 -2.287 . . . . 0.0 104.824 178.683 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 128.475 3.609 . . . . 0.0 117.012 -175.622 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.329 0 N-CA-C 105.324 -3.11 . . . . 0.0 105.324 177.088 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.273 2.324 0 O-C-N 128.49 3.112 . . . . 0.0 106.556 179.783 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.849 0 C-N-CA 118.915 -1.114 . . . . 0.0 112.682 -177.613 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 177.544 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.846 0 CA-C-O 122.391 1.091 . . . . 0.0 108.127 176.44 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.306 0 C-N-CA 121.513 1.475 . . . . 0.0 111.838 -179.689 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 176.988 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 105.371 -2.085 . . . . 0.0 105.371 177.464 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 122.798 1.285 . . . . 0.0 110.095 -176.915 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.164 0 CA-C-N 112.703 -2.044 . . . . 0.0 112.769 179.422 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.222 0 CA-C-N 118.156 0.978 . . . . 0.0 110.742 179.838 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.947 0 O-C-N 123.468 1.246 . . . . 0.0 111.649 177.032 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 103.141 -2.911 . . . . 0.0 103.141 178.592 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.334 0 O-C-N 126.829 2.581 . . . . 0.0 112.244 -178.932 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.708 0 N-CA-C 107.587 -1.736 . . . . 0.0 107.587 -179.447 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.942 0 O-C-N 128.101 3.376 . . . . 0.0 103.026 179.881 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.266 1.973 0 CA-C-O 115.979 -1.962 . . . . 0.0 108.827 -179.957 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.809 0 N-CA-C 104.1 -3.6 . . . . 0.0 104.1 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.257 1.497 0 CA-C-O 115.667 -2.111 . . . . 0.0 109.463 -177.91 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.72 0 N-CA-C 103.711 -2.7 . . . . 0.0 103.711 -178.909 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.058 0 O-C-N 127.766 3.166 . . . . 0.0 113.529 -176.581 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 106.329 -1.73 . . . . 0.0 106.329 -179.065 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.92 0 O-C-N 126.306 2.254 . . . . 0.0 107.665 -178.818 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 120.712 -1.464 . . . . 0.0 110.271 -178.282 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.295 0 N-CA-C 100.633 -3.84 . . . . 0.0 100.633 -177.895 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.307 0 CA-C-O 115.265 -2.056 . . . . 0.0 112.125 179.298 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.808 0 CA-C-N 120.673 1.579 . . . . 0.0 109.587 177.797 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.42 0 CA-C-N 112.814 -1.994 . . . . 0.0 110.618 178.311 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.432 -1.338 0 O-C-N 120.878 -1.139 . . . . 0.0 110.455 178.534 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.556 1.18 0 O-C-N 125.829 1.956 . . . . 0.0 110.296 -178.377 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.072 0 O-C-N 127.04 2.713 . . . . 0.0 107.085 178.926 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.598 0 CA-C-O 122.174 0.988 . . . . 0.0 112.91 177.876 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.889 0 O-C-N 117.485 -3.26 . . . . 0.0 114.551 179.714 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.819 0 O-C-N 125.657 1.848 . . . . 0.0 108.149 179.503 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.568 1 O-C-N 129.25 4.094 . . . . 0.0 109.78 179.181 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 120.031 -1.668 . . . . 0.0 111.831 179.118 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.506 0 C-N-CA 125.17 1.388 . . . . 0.0 112.765 178.753 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.034 0 C-N-CA 127.977 2.703 . . . . 0.0 114.338 -179.065 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.284 0 C-N-CA 128.265 2.626 . . . . 0.0 111.466 -178.475 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 C-N-CA 117.551 -1.66 . . . . 0.0 107.372 -179.977 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.067 0 CA-C-O 117.307 -1.33 . . . . 0.0 108.995 -179.886 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 N--CA 1.49 1.289 0 C-N-CA 122.874 2.383 . . . . 0.0 111.748 178.181 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 332' ' ' ASN . . . . . . . . . . . . . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.007 0 O-C-N 118.683 -2.51 . . . . 0.0 115.7 -177.086 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.038 0 C-N-CA 126.596 1.958 . . . . 0.0 110.933 -176.579 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.945 0 C-N-CA 123.421 2.747 . . . . 0.0 115.507 174.506 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.296 -1.717 0 CA-C-N 121.301 1.864 . . . . 0.0 113.412 178.03 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 124.91 1.284 . . . . 0.0 108.076 179.97 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.851 0 C-N-CA 119.075 -1.05 . . . . 0.0 109.745 179.105 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.611 -0.681 . . . . 0.0 109.291 179.121 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 114.216 -1.356 . . . . 0.0 109.763 179.833 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 119.56 1.073 . . . . 0.0 111.971 -178.015 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-O 117.166 -1.397 . . . . 0.0 111.893 -178.048 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 -178.925 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.473 0 CA-C-N 114.578 -1.192 . . . . 0.0 109.174 179.725 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-O 124.911 2.291 . . . . 0.0 109.441 178.368 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.041 0 CA-C-N 112.73 -2.032 . . . . 0.0 111.31 178.756 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 121.094 1.77 . . . . 0.0 112.748 179.864 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.297 0 CA-C-O 118.399 -0.81 . . . . 0.0 112.225 -176.267 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 O-C-N 124.132 0.895 . . . . 0.0 109.129 -179.287 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-O 115.194 -2.336 . . . . 0.0 110.892 -178.141 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.225 0 O-C-N 127.63 3.082 . . . . 0.0 111.068 178.974 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.79 0 C-N-CA 127.386 2.274 . . . . 0.0 113.79 -177.16 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 125.969 2.043 . . . . 0.0 112.202 -179.945 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.394 0 CA-C-N 121.322 1.874 . . . . 0.0 114.827 179.872 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.586 0 C-N-CA 124.724 1.21 . . . . 0.0 111.452 179.594 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 107.154 -1.425 . . . . 0.0 107.154 178.921 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 178.242 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 O-C-N 124.802 1.314 . . . . 0.0 110.041 -178.651 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 113.614 -1.63 . . . . 0.0 111.054 178.335 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.509 0 C-N-CA 127.13 2.172 . . . . 0.0 112.542 -178.526 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 113.697 -1.592 . . . . 0.0 111.978 179.751 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 116.792 -1.575 . . . . 0.0 111.713 -178.32 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 126.512 2.383 . . . . 0.0 107.563 178.905 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.437 -1.082 0 C-N-CA 126.428 1.891 . . . . 0.0 113.158 179.237 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.615 -179.182 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.191 0 O-C-N 124.434 1.084 . . . . 0.0 108.229 178.126 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-O 116.57 -1.681 . . . . 0.0 112.096 179.064 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.537 0 N-CA-C 115.891 1.812 . . . . 0.0 115.891 -179.732 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 O-C-N 124.431 1.082 . . . . 0.0 111.126 -177.95 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.129 0 O-C-N 125.475 1.734 . . . . 0.0 111.352 -178.674 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.107 0 C-N-CA 127.301 2.24 . . . . 0.0 107.419 179.177 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 500' ' ' MXT . . . . . 0.783 H122 ' H ' ' A' ' 42' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 600' ' ' MXT . . . . . 0.682 H232 ' O11' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.798 ' O ' ' O11' ' A' ' 500' ' ' MXT . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 1.044 ' CA ' H121 ' A' ' 500' ' ' MXT . 5.7 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 1.036 ' H ' H122 ' A' ' 500' ' ' MXT . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.295 0 O-C-N 125.664 1.852 . . . . 0.0 106.871 168.808 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.771 1 O-C-N 129.22 4.274 . . . . 0.0 107.993 -174.952 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.293 -1.888 0 CA-C-N 120.997 1.726 . . . . 0.0 112.596 -178.103 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.19 0 CA-C-N 114.205 -1.361 . . . . 0.0 110.897 -178.19 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.209 0 C-N-CA 126.938 2.095 . . . . 0.0 110.246 -176.918 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.481 0 O-C-N 120.874 -1.141 . . . . 0.0 109.855 179.567 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.258 1.55 0 N-CA-C 105.889 -1.893 . . . . 0.0 105.889 -176.717 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 127.118 2.761 . . . . 0.0 107.845 -179.404 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.78 0 CA-C-O 115.463 -2.208 . . . . 0.0 106.445 -177.884 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 C--N 1.278 -2.536 1 O-C-N 130.647 4.967 . . . . 0.0 106.359 169.645 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.122 0 CA-C-O 113.728 -3.034 . . . . 0.0 105.901 -179.815 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.443 0 CA-C-N 121.166 1.803 . . . . 0.0 110.005 -177.724 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.768 0 O-C-N 125.889 1.993 . . . . 0.0 105.814 -176.631 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.381 0 O-C-N 127.464 2.977 . . . . 0.0 112.785 -176.352 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.95 0 O-C-N 127.241 2.838 . . . . 0.0 112.254 177.588 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 122.155 2.252 . . . . 0.0 111.905 -179.669 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--O 1.225 -0.212 0 O-C-N 126.626 2.454 . . . . 0.0 109.707 -174.936 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.728 0 C-N-CA 124.696 3.597 . . . . 0.0 111.912 179.749 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.828 0 CA-C-N 111.687 -2.506 . . . . 0.0 106.752 179.174 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.315 -1.209 0 O-C-N 127.495 3.366 . . . . 0.0 107.898 179.014 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.501 0 O-C-N 124.298 1.683 . . . . 0.0 108.301 178.874 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.584 0 O-C-N 127.061 2.725 . . . . 0.0 112.209 179.92 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.991 0 C-N-CA 126.767 2.027 . . . . 0.0 114.947 -174.512 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.699 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 175.031 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 124.885 1.365 . . . . 0.0 113.623 -175.743 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.414 0 CA-C-O 117.388 -1.291 . . . . 0.0 112.756 -179.398 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.315 0 CA-C-N 121.746 2.066 . . . . 0.0 114.952 179.593 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.488 0 C-N-CA 122.125 1.883 . . . . 0.0 113.304 178.092 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.889 0 C-N-CA 129.798 3.239 . . . . 0.0 112.251 178.899 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.055 0 O-C-N 119.452 -2.03 . . . . 0.0 109.487 178.02 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.337 0 CA-C-O 115.621 -2.133 . . . . 0.0 109.268 179.729 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 127.384 2.927 . . . . 0.0 109.391 179.551 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.231 0 O-C-N 120.312 -1.493 . . . . 0.0 112.906 177.205 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 122.054 0.93 . . . . 0.0 113.37 178.976 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.255 0 C-N-CA 126.533 1.933 . . . . 0.0 109.259 179.749 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.296 -1.744 0 O-C-N 125.079 1.487 . . . . 0.0 110.207 175.898 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.168 0 C-N-CA 127.075 2.15 . . . . 0.0 114.6 178.851 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.028 0 CA-C-O 117.087 -1.951 . . . . 0.0 112.35 178.439 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-N 118.117 0.959 . . . . 0.0 108.515 179.27 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 176.105 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.96 0 C-N-CA 123.937 0.895 . . . . 0.0 112.853 -179.51 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.47 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 -175.502 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.086 0 C-N-CA 125.037 1.335 . . . . 0.0 108.136 175.047 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 177.284 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.212 -0.908 0 CA-C-N 114.295 -1.321 . . . . 0.0 110.084 -179.91 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-O 115.944 -1.979 . . . . 0.0 112.322 178.81 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.571 0 C-N-CA 126.823 2.049 . . . . 0.0 116.531 -174.869 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.61 0 CA-C-O 122.765 1.269 . . . . 0.0 112.284 -178.934 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.448 -1.183 0 C-N-CA 122.365 2.044 . . . . 0.0 115.142 -179.554 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 177.662 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.433 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 178.332 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.114 0 O-C-N 118.333 -2.729 . . . . 0.0 114.634 -179.084 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.326 0 N-CA-C 115.941 1.83 . . . . 0.0 115.941 179.728 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.048 0 CA-C-N 120.247 1.124 . . . . 0.0 114.843 -179.603 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.303 1.041 . . . . 0.0 112.004 179.92 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 O-C-N 125.04 1.463 . . . . 0.0 111.478 -179.731 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.253 1.283 0 N-CA-C 116.885 2.179 . . . . 0.0 116.885 179.134 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 127.636 2.374 . . . . 0.0 115.56 -178.031 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.821 0 N-CA-C 117.134 2.272 . . . . 0.0 117.134 -178.569 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.09 0 CA-C-O 115.697 -2.724 . . . . 0.0 118.904 177.669 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.951 0 CA-C-N 124.184 3.992 . . . . 0.0 111.34 179.72 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-O 115.669 -2.11 . . . . 0.0 106.265 177.478 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.518 0 O-C-N 125.49 1.744 . . . . 0.0 107.6 -178.937 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.461 0 O-C-N 125.749 1.905 . . . . 0.0 111.549 -179.674 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-O 122.146 0.974 . . . . 0.0 110.714 179.449 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.248 1.021 0 N-CA-C 106.745 -1.576 . . . . 0.0 106.745 -179.886 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 1.98 0 O-C-N 126.064 2.103 . . . . 0.0 116.197 -179.785 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.789 0 CA-C-O 117.912 -1.042 . . . . 0.0 112.549 -178.228 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 1.972 0 N-CA-C 107.828 -2.109 . . . . 0.0 107.828 -178.398 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 125.382 2.515 . . . . 0.0 112.691 -177.861 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.845 0 CA-C-N 110.906 -2.861 . . . . 0.0 110.436 179.196 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -0.995 0 O-C-N 126.354 2.284 . . . . 0.0 105.413 176.631 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.373 0 N-CA-C 117.816 2.524 . . . . 0.0 117.816 -176.569 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 108.539 -0.912 . . . . 0.0 108.539 178.852 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 103.822 -2.658 . . . . 0.0 103.822 177.068 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 CA-C-N 111.997 -2.365 . . . . 0.0 108.0 -179.304 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.305 0 N-CA-C 118.534 2.174 . . . . 0.0 118.534 -178.245 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.71 0 O-C-N 121.487 -1.008 . . . . 0.0 112.29 -179.694 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.636 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -177.166 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-O 124.243 1.973 . . . . 0.0 110.031 -179.786 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.901 0 CA-C-N 113.379 -1.737 . . . . 0.0 108.335 -178.358 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 C--N 1.318 -0.467 0 CA-C-N 114.095 -1.411 . . . . 0.0 110.171 179.274 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 124.813 0.949 . . . . 0.0 110.008 179.933 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.986 0 CA-C-N 114.339 -1.3 . . . . 0.0 109.345 179.313 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.215 0 O-C-N 124.577 1.173 . . . . 0.0 110.206 178.885 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.815 0 N-CA-C 119.048 2.379 . . . . 0.0 119.048 -179.687 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.214 -0.812 0 O-C-N 120.873 -1.369 . . . . 0.0 109.104 179.49 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 178.622 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.897 0 O-C-N 125.701 1.875 . . . . 0.0 110.262 179.138 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.293 0.568 . . . . 0.0 111.855 -179.158 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 115.698 -2.096 . . . . 0.0 108.802 -177.888 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.908 0 O-C-N 127.271 2.857 . . . . 0.0 110.383 178.666 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 117.712 -1.137 . . . . 0.0 109.616 -179.743 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 O-C-N 128.105 3.378 . . . . 0.0 112.803 -177.724 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.242 0 O-C-N 125.104 1.503 . . . . 0.0 111.743 -178.069 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 123.903 0.881 . . . . 0.0 110.189 178.272 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.292 -1.932 0 N-CA-C 118.044 2.609 . . . . 0.0 118.044 175.716 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.311 -1.074 0 C-N-CA 124.144 0.977 . . . . 0.0 109.069 177.495 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 127.417 2.948 . . . . 0.0 111.376 -177.965 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.391 0 C-N-CA 130.002 3.321 . . . . 0.0 109.004 178.317 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.246 0.914 0 O-C-N 126.735 2.522 . . . . 0.0 113.769 -178.094 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 115.272 1.582 . . . . 0.0 115.272 -178.415 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 124.756 1.285 . . . . 0.0 109.937 178.508 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 124.045 0.938 . . . . 0.0 109.207 178.994 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 123.484 0.714 . . . . 0.0 112.709 -178.481 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.307 -1.239 0 CA-C-O 117.017 -1.468 . . . . 0.0 111.028 -177.84 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 CA-C-O 116.796 -1.573 . . . . 0.0 110.708 -176.968 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-N 119.551 1.069 . . . . 0.0 112.843 -178.902 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 124.93 1.292 . . . . 0.0 111.686 -178.456 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 125.051 1.47 . . . . 0.0 108.302 -179.577 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 126.57 2.419 . . . . 0.0 111.624 -178.969 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 0.991 0 C-N-CA 120.203 -0.599 . . . . 0.0 110.476 177.581 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 114.322 1.23 . . . . 0.0 114.322 -177.706 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.536 0 C-N-CA 125.634 1.573 . . . . 0.0 111.269 177.371 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.466 0.644 0 O-C-N 121.322 -0.861 . . . . 0.0 114.237 -179.451 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.614 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 179.213 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 119.809 -1.807 . . . . 0.0 109.691 -179.365 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.921 0 N-CA-C 116.337 1.977 . . . . 0.0 116.337 -176.956 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 125.264 1.603 . . . . 0.0 110.319 -176.641 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 112.556 -2.111 . . . . 0.0 108.333 176.068 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 N-CA-C 104.518 -2.401 . . . . 0.0 104.518 178.458 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 125.417 1.698 . . . . 0.0 108.272 -177.674 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.279 0 O-C-N 125.896 1.998 . . . . 0.0 110.955 -175.555 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.474 -2.48 0 O-C-N 126.277 2.725 . . . . 0.0 115.003 -176.48 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.259 1.553 0 O-C-N 120.416 -1.428 . . . . 0.0 113.82 177.672 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.347 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 -176.958 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.264 1.827 0 CA-C-O 115.058 -2.401 . . . . 0.0 112.767 -178.712 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.638 0 CA-C-N 120.959 1.709 . . . . 0.0 114.821 -177.962 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.04 0 C-N-CA 127.024 2.13 . . . . 0.0 111.217 -179.583 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 O-C-N 126.223 2.202 . . . . 0.0 110.482 -179.719 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 125.368 1.467 . . . . 0.0 107.06 177.874 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.263 1.765 0 C-N-CA 126.624 1.969 . . . . 0.0 112.584 179.03 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.252 1.187 0 CA-C-N 113.221 -1.809 . . . . 0.0 111.446 -177.702 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.126 0 C-N-CA 123.843 0.857 . . . . 0.0 113.15 -179.127 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 104.169 -2.53 . . . . 0.0 104.169 177.437 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 104.788 -2.301 . . . . 0.0 104.788 178.687 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 128.465 3.603 . . . . 0.0 116.974 -175.649 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.32 0 N-CA-C 105.334 -3.106 . . . . 0.0 105.334 177.097 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.368 0 O-C-N 128.51 3.123 . . . . 0.0 106.538 179.788 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.244 0.811 0 C-N-CA 118.946 -1.102 . . . . 0.0 112.704 -177.624 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.74 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 177.555 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.244 0.807 0 CA-C-O 122.408 1.099 . . . . 0.0 108.101 176.427 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.308 0 C-N-CA 121.493 1.462 . . . . 0.0 111.884 -179.719 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 177.043 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 105.369 -2.086 . . . . 0.0 105.369 177.481 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 122.76 1.267 . . . . 0.0 110.106 -176.9 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.178 0 CA-C-N 112.679 -2.055 . . . . 0.0 112.728 176.922 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.211 0 CA-C-N 118.194 0.997 . . . . 0.0 110.763 179.628 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.959 0 O-C-N 123.504 1.265 . . . . 0.0 111.676 178.307 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.033 0 N-CA-C 103.192 -2.892 . . . . 0.0 103.192 179.59 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.349 0 O-C-N 126.853 2.596 . . . . 0.0 112.265 -179.53 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.44 -1.665 0 N-CA-C 107.617 -1.724 . . . . 0.0 107.617 -179.651 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.956 0 O-C-N 128.117 3.386 . . . . 0.0 103.06 179.064 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.266 1.966 0 CA-C-O 115.949 -1.977 . . . . 0.0 108.863 179.176 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 C--N 1.293 -1.831 0 N-CA-C 104.11 -3.596 . . . . 0.0 104.11 -179.411 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.525 0 CA-C-O 115.664 -2.112 . . . . 0.0 109.478 -177.091 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.742 0 N-CA-C 103.715 -2.698 . . . . 0.0 103.715 -179.988 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.071 0 O-C-N 127.766 3.166 . . . . 0.0 113.536 -179.079 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 106.327 -1.731 . . . . 0.0 106.327 -177.398 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.915 0 N-CA-C 107.589 -2.204 . . . . 0.0 107.589 -179.518 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 118.796 -2.591 . . . . 0.0 110.271 -177.526 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--N 1.403 2.935 0 N-CA-C 100.624 -3.843 . . . . 0.0 100.624 174.429 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.296 0 CA-C-O 115.206 -2.081 . . . . 0.0 112.104 -178.871 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.817 0 CA-C-N 120.708 1.595 . . . . 0.0 109.552 177.764 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.276 2.458 0 CA-C-N 112.877 -1.965 . . . . 0.0 110.586 178.329 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.293 0 O-C-N 120.925 -1.11 . . . . 0.0 110.444 178.551 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.161 0 O-C-N 125.809 1.943 . . . . 0.0 110.256 -178.383 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.077 0 O-C-N 126.991 2.682 . . . . 0.0 107.107 178.932 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.62 0 CA-C-O 122.191 0.996 . . . . 0.0 112.902 177.894 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.906 0 O-C-N 117.485 -3.259 . . . . 0.0 114.589 179.692 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.571 1.78 0 O-C-N 125.613 1.821 . . . . 0.0 108.157 179.483 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.584 1 O-C-N 129.241 4.088 . . . . 0.0 109.76 179.17 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 119.989 -1.694 . . . . 0.0 111.828 179.087 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.521 0 C-N-CA 125.11 1.364 . . . . 0.0 112.814 178.733 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.034 0 C-N-CA 128.06 2.743 . . . . 0.0 114.284 176.726 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.249 0 C-N-CA 128.255 2.622 . . . . 0.0 111.508 -179.294 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 C-N-CA 117.575 -1.65 . . . . 0.0 107.405 179.149 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.107 0 CA-C-O 117.298 -1.334 . . . . 0.0 109.02 177.444 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.327 0 C-N-CA 122.855 2.37 . . . . 0.0 111.747 176.411 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 332' ' ' ASN . . . . . . . . . . . . . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.0 0 O-C-N 118.638 -2.539 . . . . 0.0 115.691 -179.724 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.037 0 C-N-CA 126.626 1.97 . . . . 0.0 110.937 177.746 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.937 0 C-N-CA 123.44 2.76 . . . . 0.0 115.535 177.939 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-N 121.258 1.845 . . . . 0.0 113.482 177.996 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 124.969 1.307 . . . . 0.0 108.029 179.989 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.246 0.874 0 C-N-CA 119.048 -1.061 . . . . 0.0 109.746 179.09 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.533 -0.729 . . . . 0.0 109.29 179.088 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 114.234 -1.348 . . . . 0.0 109.729 179.841 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-N 119.585 1.084 . . . . 0.0 111.919 -177.914 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-O 117.053 -1.451 . . . . 0.0 111.829 -178.012 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 115.08 1.511 . . . . 0.0 115.08 -178.96 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.461 0 CA-C-N 114.542 -1.208 . . . . 0.0 109.138 179.746 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-O 124.835 2.255 . . . . 0.0 109.418 178.343 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.497 -1.065 0 CA-C-N 112.754 -2.021 . . . . 0.0 111.32 178.76 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.724 0 CA-C-N 121.132 1.787 . . . . 0.0 112.77 179.828 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.253 1.282 0 CA-C-O 118.459 -0.781 . . . . 0.0 112.268 -176.261 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 O-C-N 124.086 0.866 . . . . 0.0 109.104 -179.36 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-O 115.201 -2.333 . . . . 0.0 110.884 -178.155 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.229 0 O-C-N 127.591 3.057 . . . . 0.0 111.021 179.007 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.294 -1.805 0 C-N-CA 127.409 2.284 . . . . 0.0 113.795 -177.17 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 125.949 2.031 . . . . 0.0 112.25 -179.961 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.378 0 CA-C-N 121.278 1.854 . . . . 0.0 114.825 179.913 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.586 0 C-N-CA 124.851 1.261 . . . . 0.0 111.368 179.587 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 107.132 -1.432 . . . . 0.0 107.132 178.957 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 178.223 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 O-C-N 124.856 1.347 . . . . 0.0 110.034 -178.699 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.368 0 CA-C-N 113.673 -1.603 . . . . 0.0 111.031 178.367 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.3 -1.549 0 C-N-CA 127.119 2.168 . . . . 0.0 112.551 -178.578 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 113.725 -1.579 . . . . 0.0 112.003 179.737 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-O 116.704 -1.617 . . . . 0.0 111.662 -178.298 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 126.548 2.405 . . . . 0.0 107.543 178.911 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.06 0 C-N-CA 126.458 1.903 . . . . 0.0 113.127 179.247 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.642 -179.183 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.178 0 O-C-N 124.466 1.104 . . . . 0.0 108.239 178.147 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 116.58 -1.676 . . . . 0.0 112.102 179.015 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.257 1.498 0 N-CA-C 115.879 1.807 . . . . 0.0 115.879 -179.697 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 O-C-N 124.495 1.122 . . . . 0.0 111.134 -177.955 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.136 0 O-C-N 125.477 1.735 . . . . 0.0 111.348 -178.693 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.099 0 C-N-CA 127.236 2.214 . . . . 0.0 107.418 179.13 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 500' ' ' MXT . . . . . 1.044 H121 ' CA ' ' A' ' 41' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 600' ' ' MXT . . . . . 0.818 H232 ' O11' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 21.0 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.306 0 O-C-N 125.664 1.852 . . . . 0.0 106.864 170.238 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.713 1 O-C-N 129.197 4.262 . . . . 0.0 107.998 -176.038 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.91 0 CA-C-N 121.048 1.749 . . . . 0.0 112.636 -177.959 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.22 0 CA-C-N 114.232 -1.349 . . . . 0.0 110.896 -176.67 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.175 0 C-N-CA 126.995 2.118 . . . . 0.0 110.255 -176.511 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.46 0 O-C-N 120.878 -1.139 . . . . 0.0 109.872 179.44 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.577 0 N-CA-C 105.92 -1.881 . . . . 0.0 105.92 -177.824 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 127.075 2.734 . . . . 0.0 107.821 178.52 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.758 0 CA-C-O 115.484 -2.198 . . . . 0.0 106.436 178.038 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.539 1 O-C-N 130.695 4.997 . . . . 0.0 106.327 177.375 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.119 0 CA-C-O 113.737 -3.03 . . . . 0.0 105.836 -179.772 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.437 0 CA-C-N 121.143 1.792 . . . . 0.0 110.033 -177.774 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.798 0 O-C-N 125.88 1.988 . . . . 0.0 105.758 -176.605 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.36 0 O-C-N 127.481 2.988 . . . . 0.0 112.717 -176.358 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.954 0 O-C-N 127.225 2.828 . . . . 0.0 112.268 177.647 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.314 -0.938 0 O-C-N 119.066 -2.271 . . . . 0.0 111.9 -179.671 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--O 1.225 -0.199 0 O-C-N 126.62 2.45 . . . . 0.0 109.747 -174.879 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--O 1.242 0.713 0 C-N-CA 124.649 3.566 . . . . 0.0 111.942 179.797 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.849 0 CA-C-N 111.728 -2.487 . . . . 0.0 106.78 179.121 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.258 0 O-C-N 127.551 3.395 . . . . 0.0 107.922 179.0 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.507 0 CA-C-O 116.164 -1.682 . . . . 0.0 108.319 178.91 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.614 0 O-C-N 127.079 2.737 . . . . 0.0 112.186 179.955 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.291 -1.95 0 C-N-CA 126.779 2.032 . . . . 0.0 114.899 -174.447 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.706 0 N-CA-C 107.721 -1.215 . . . . 0.0 107.721 174.993 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 124.877 1.36 . . . . 0.0 113.611 -175.778 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.42 0 CA-C-O 117.398 -1.287 . . . . 0.0 112.763 -179.4 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.333 0 CA-C-N 121.769 2.077 . . . . 0.0 114.974 179.581 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.176 1.918 . . . . 0.0 113.33 178.054 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.901 0 C-N-CA 129.797 3.239 . . . . 0.0 112.255 178.896 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.058 0 O-C-N 119.456 -2.028 . . . . 0.0 109.557 177.98 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.364 0 CA-C-O 115.532 -2.175 . . . . 0.0 109.184 179.763 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 127.447 2.967 . . . . 0.0 109.39 179.591 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.253 1.245 0 O-C-N 120.277 -1.514 . . . . 0.0 112.877 177.228 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-O 122.038 0.923 . . . . 0.0 113.34 178.997 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.254 0 C-N-CA 126.477 1.911 . . . . 0.0 109.229 179.776 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 125.102 1.501 . . . . 0.0 110.257 175.899 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.269 2.111 0 C-N-CA 127.048 2.139 . . . . 0.0 114.57 178.887 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.013 0 CA-C-O 117.091 -1.949 . . . . 0.0 112.378 178.488 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-N 118.086 0.943 . . . . 0.0 108.486 179.265 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 176.01 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.939 0 C-N-CA 123.939 0.896 . . . . 0.0 112.871 -179.518 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.456 0 N-CA-C 114.957 1.466 . . . . 0.0 114.957 -175.515 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.102 0 C-N-CA 125.026 1.331 . . . . 0.0 108.123 175.047 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 177.259 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.973 0 CA-C-N 114.31 -1.313 . . . . 0.0 110.055 -179.882 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-O 115.97 -1.967 . . . . 0.0 112.328 178.776 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.276 -2.591 0 N-CA-C 116.579 2.066 . . . . 0.0 116.579 -174.861 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.585 0 CA-C-O 122.716 1.246 . . . . 0.0 112.314 -178.945 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 122.358 2.039 . . . . 0.0 115.094 -179.524 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 177.672 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.429 0 N-CA-C 115.174 1.546 . . . . 0.0 115.174 178.335 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.118 0 O-C-N 118.301 -2.75 . . . . 0.0 114.614 -179.062 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.253 1.265 0 N-CA-C 116.015 1.857 . . . . 0.0 116.015 179.684 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.064 0 CA-C-N 120.244 1.123 . . . . 0.0 114.856 -179.652 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.357 1.063 . . . . 0.0 112.038 179.847 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 O-C-N 125.021 1.451 . . . . 0.0 111.474 -179.73 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.255 1.352 0 N-CA-C 116.904 2.187 . . . . 0.0 116.904 179.1 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 127.688 2.395 . . . . 0.0 115.581 -178.116 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.851 0 N-CA-C 117.112 2.264 . . . . 0.0 117.112 -178.524 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.482 -2.007 0 CA-C-O 115.687 -2.729 . . . . 0.0 118.827 177.679 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.29 -1.986 0 CA-C-N 124.164 3.982 . . . . 0.0 111.368 179.719 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-O 115.598 -2.144 . . . . 0.0 106.285 177.535 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.527 0 O-C-N 125.5 1.75 . . . . 0.0 107.675 -178.997 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.477 0 O-C-N 125.782 1.926 . . . . 0.0 111.443 -179.648 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-O 122.087 0.946 . . . . 0.0 110.746 179.392 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.248 1.021 0 N-CA-C 106.71 -1.589 . . . . 0.0 106.71 -179.871 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 1.975 0 O-C-N 126.077 2.111 . . . . 0.0 116.158 -179.792 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.262 1.763 0 CA-C-O 117.936 -1.031 . . . . 0.0 112.59 -178.251 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 1.991 0 N-CA-C 107.808 -2.117 . . . . 0.0 107.808 -178.436 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 125.293 2.473 . . . . 0.0 112.691 -177.807 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.84 0 CA-C-N 110.915 -2.857 . . . . 0.0 110.409 179.212 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.314 -0.951 0 O-C-N 126.369 2.293 . . . . 0.0 105.4 176.637 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.362 0 N-CA-C 117.81 2.522 . . . . 0.0 117.81 -176.549 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 178.824 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 103.813 -2.662 . . . . 0.0 103.813 177.096 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 CA-C-N 111.988 -2.369 . . . . 0.0 107.993 -179.29 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.327 0 N-CA-C 118.575 2.19 . . . . 0.0 118.575 -178.234 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.685 0 O-C-N 121.438 -1.037 . . . . 0.0 112.219 -179.631 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.628 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -177.171 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.839 0 CA-C-O 124.252 1.977 . . . . 0.0 110.063 -179.796 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-N 113.436 -1.711 . . . . 0.0 108.397 -178.385 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.463 0.463 0 CA-C-N 114.048 -1.433 . . . . 0.0 110.19 179.271 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 124.803 0.943 . . . . 0.0 110.04 179.882 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.987 0 CA-C-N 114.369 -1.287 . . . . 0.0 109.353 179.322 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.224 0 O-C-N 124.5 1.125 . . . . 0.0 110.149 178.885 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.841 0 N-CA-C 119.073 2.389 . . . . 0.0 119.073 -179.627 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.817 0 O-C-N 120.912 -1.346 . . . . 0.0 109.101 179.481 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 107.127 -1.435 . . . . 0.0 107.127 178.582 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.874 0 O-C-N 125.763 1.914 . . . . 0.0 110.245 179.15 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.329 0.585 . . . . 0.0 111.845 -179.145 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 115.683 -2.103 . . . . 0.0 108.784 -177.879 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.927 0 O-C-N 127.295 2.872 . . . . 0.0 110.352 178.708 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 117.654 -1.165 . . . . 0.0 109.588 -179.685 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 O-C-N 128.168 3.418 . . . . 0.0 112.838 -177.727 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.283 0 O-C-N 125.151 1.532 . . . . 0.0 111.759 -178.104 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 123.87 0.868 . . . . 0.0 110.216 178.223 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.941 0 N-CA-C 118.075 2.621 . . . . 0.0 118.075 175.721 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.311 -1.068 0 C-N-CA 124.075 0.95 . . . . 0.0 109.111 177.501 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 127.371 2.919 . . . . 0.0 111.398 -177.941 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.408 0 C-N-CA 129.972 3.309 . . . . 0.0 108.942 178.363 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.941 0 O-C-N 126.779 2.549 . . . . 0.0 113.807 -178.168 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 115.276 1.584 . . . . 0.0 115.276 -178.428 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 124.751 1.282 . . . . 0.0 109.911 178.559 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.303 -1.431 0 C-N-CA 124.014 0.925 . . . . 0.0 109.168 179.022 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.884 0 C-N-CA 123.46 0.704 . . . . 0.0 112.715 -178.494 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.307 -1.261 0 CA-C-O 116.993 -1.48 . . . . 0.0 110.964 -177.806 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.632 0 CA-C-O 116.744 -1.598 . . . . 0.0 110.696 -176.975 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.136 0 CA-C-N 119.569 1.077 . . . . 0.0 112.844 -178.84 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 124.955 1.302 . . . . 0.0 111.711 -178.522 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 125.044 1.465 . . . . 0.0 108.282 -179.563 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 126.563 2.414 . . . . 0.0 111.622 -178.944 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.022 0 C-N-CA 120.231 -0.587 . . . . 0.0 110.498 177.575 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.717 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 -177.714 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.528 0 C-N-CA 125.605 1.562 . . . . 0.0 111.211 177.374 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.466 0.672 0 O-C-N 121.345 -0.847 . . . . 0.0 114.256 -179.473 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.51 -0.593 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 179.259 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 119.844 -1.785 . . . . 0.0 109.651 -179.328 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.895 0 N-CA-C 116.348 1.981 . . . . 0.0 116.348 -176.952 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 125.274 1.609 . . . . 0.0 110.28 -176.577 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 112.535 -2.121 . . . . 0.0 108.318 176.01 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 N-CA-C 104.509 -2.404 . . . . 0.0 104.509 178.527 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 125.406 1.691 . . . . 0.0 108.267 -177.69 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.304 0 O-C-N 125.898 1.999 . . . . 0.0 110.971 -175.506 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.474 -2.495 0 O-C-N 126.344 2.76 . . . . 0.0 115.053 -176.516 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.541 0 O-C-N 120.369 -1.457 . . . . 0.0 113.775 177.714 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.256 1.405 0 N-CA-C 115.61 1.707 . . . . 0.0 115.61 -176.995 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--N 1.294 -1.832 0 CA-C-O 115.089 -2.386 . . . . 0.0 112.776 -178.719 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.259 1.595 0 CA-C-N 120.947 1.703 . . . . 0.0 114.825 -178.035 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.311 -1.075 0 C-N-CA 127.049 2.14 . . . . 0.0 111.154 -179.494 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 O-C-N 126.213 2.195 . . . . 0.0 110.457 -179.73 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 177.896 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.748 0 C-N-CA 126.631 1.972 . . . . 0.0 112.579 179.027 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.15 0 CA-C-N 113.21 -1.814 . . . . 0.0 111.423 -177.706 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.133 0 C-N-CA 123.817 0.847 . . . . 0.0 113.149 -179.112 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 104.169 -2.53 . . . . 0.0 104.169 177.436 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.305 -1.37 0 N-CA-C 104.812 -2.292 . . . . 0.0 104.812 178.672 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 128.548 3.655 . . . . 0.0 116.95 -175.6 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.317 0 N-CA-C 105.313 -3.115 . . . . 0.0 105.313 177.125 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.367 0 O-C-N 128.459 3.094 . . . . 0.0 106.538 179.79 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.244 0.795 0 C-N-CA 118.934 -1.107 . . . . 0.0 112.642 -177.566 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.726 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 177.527 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.244 0.789 0 CA-C-O 122.448 1.118 . . . . 0.0 108.042 176.45 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.279 0 C-N-CA 121.492 1.462 . . . . 0.0 111.849 -179.727 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 177.041 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 105.374 -2.084 . . . . 0.0 105.374 177.471 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 122.809 1.29 . . . . 0.0 110.054 -176.911 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.25 1.126 0 CA-C-N 112.695 -2.048 . . . . 0.0 112.791 179.69 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.309 -1.192 0 CA-C-N 118.158 0.979 . . . . 0.0 110.721 179.805 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.924 0 O-C-N 123.497 1.262 . . . . 0.0 111.643 177.349 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 178.496 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.306 -1.32 0 O-C-N 126.863 2.602 . . . . 0.0 112.196 -178.557 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.681 0 N-CA-C 107.523 -1.76 . . . . 0.0 107.523 179.742 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.29 -1.984 0 O-C-N 128.117 3.386 . . . . 0.0 103.015 -179.832 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.266 1.969 0 CA-C-O 116.026 -1.94 . . . . 0.0 108.807 178.784 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.805 0 N-CA-C 104.088 -3.605 . . . . 0.0 104.088 -178.252 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.526 0 CA-C-O 115.659 -2.115 . . . . 0.0 109.481 -173.521 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.712 0 N-CA-C 103.7 -2.704 . . . . 0.0 103.7 179.733 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.09 0 O-C-N 127.759 3.162 . . . . 0.0 113.531 179.921 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 106.325 -1.732 . . . . 0.0 106.325 -178.829 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.931 0 O-C-N 126.286 2.241 . . . . 0.0 107.667 -178.901 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 120.064 -1.845 . . . . 0.0 110.271 -178.651 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.337 0 N-CA-C 100.616 -3.846 . . . . 0.0 100.616 -176.838 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.282 0 CA-C-O 115.245 -2.065 . . . . 0.0 112.136 178.221 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.81 0 CA-C-N 120.685 1.584 . . . . 0.0 109.594 177.772 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.398 0 CA-C-N 112.831 -1.986 . . . . 0.0 110.598 178.305 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.304 0 O-C-N 120.881 -1.137 . . . . 0.0 110.396 178.583 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.556 1.184 0 O-C-N 125.798 1.936 . . . . 0.0 110.258 -178.351 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.098 0 O-C-N 127.071 2.732 . . . . 0.0 107.05 178.979 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.6 0 CA-C-O 122.162 0.982 . . . . 0.0 112.936 177.882 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.887 0 O-C-N 117.502 -3.249 . . . . 0.0 114.562 179.682 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.811 0 O-C-N 125.581 1.801 . . . . 0.0 108.141 179.477 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.584 1 O-C-N 129.236 4.085 . . . . 0.0 109.781 179.188 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 120.042 -1.661 . . . . 0.0 111.878 179.025 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.506 0 C-N-CA 125.128 1.371 . . . . 0.0 112.742 178.749 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.06 0 C-N-CA 127.999 2.714 . . . . 0.0 114.306 -179.099 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.273 2.319 0 C-N-CA 128.282 2.633 . . . . 0.0 111.528 -178.049 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 C-N-CA 117.609 -1.636 . . . . 0.0 107.379 179.843 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.081 0 CA-C-O 117.286 -1.34 . . . . 0.0 108.984 179.093 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.298 0 C-N-CA 122.889 2.392 . . . . 0.0 111.771 179.579 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 332' ' ' ASN . . . . . . . . . . . . . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.002 0 O-C-N 118.648 -2.533 . . . . 0.0 115.681 -176.767 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.045 0 C-N-CA 126.582 1.953 . . . . 0.0 110.91 -179.778 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.936 0 C-N-CA 123.418 2.745 . . . . 0.0 115.524 179.116 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.298 -1.67 0 CA-C-N 121.293 1.86 . . . . 0.0 113.405 178.025 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 124.943 1.297 . . . . 0.0 108.069 179.996 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.83 0 C-N-CA 119.062 -1.055 . . . . 0.0 109.78 179.085 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.643 -0.661 . . . . 0.0 109.32 179.062 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 114.206 -1.361 . . . . 0.0 109.767 179.832 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-N 119.562 1.074 . . . . 0.0 111.938 -177.988 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-O 117.073 -1.441 . . . . 0.0 111.844 -178.016 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 115.078 1.511 . . . . 0.0 115.078 -178.921 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.478 0 CA-C-N 114.599 -1.182 . . . . 0.0 109.175 179.69 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-O 124.876 2.275 . . . . 0.0 109.413 178.341 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.02 0 CA-C-N 112.733 -2.031 . . . . 0.0 111.278 178.812 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-N 121.145 1.793 . . . . 0.0 112.724 179.857 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.309 0 CA-C-O 118.5 -0.762 . . . . 0.0 112.337 -176.314 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 O-C-N 124.053 0.845 . . . . 0.0 109.117 -179.353 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-O 115.168 -2.349 . . . . 0.0 110.908 -178.134 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.307 -1.243 0 O-C-N 127.64 3.088 . . . . 0.0 110.973 179.013 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.294 -1.81 0 C-N-CA 127.391 2.276 . . . . 0.0 113.778 -177.154 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 125.939 2.024 . . . . 0.0 112.153 -179.882 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.255 1.426 0 CA-C-N 121.324 1.875 . . . . 0.0 114.824 179.865 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.581 0 C-N-CA 124.792 1.237 . . . . 0.0 111.422 179.605 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 178.962 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 178.216 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 O-C-N 124.806 1.316 . . . . 0.0 109.982 -178.654 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-N 113.667 -1.606 . . . . 0.0 111.005 178.382 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 127.143 2.177 . . . . 0.0 112.54 -178.519 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 113.691 -1.595 . . . . 0.0 111.946 179.783 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-O 116.741 -1.6 . . . . 0.0 111.671 -178.299 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 126.509 2.38 . . . . 0.0 107.523 178.885 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.041 0 C-N-CA 126.348 1.859 . . . . 0.0 113.17 179.266 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.609 -179.183 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.181 0 O-C-N 124.424 1.078 . . . . 0.0 108.201 178.149 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-O 116.575 -1.679 . . . . 0.0 112.137 179.038 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.507 0 N-CA-C 115.871 1.804 . . . . 0.0 115.871 -179.737 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 O-C-N 124.449 1.093 . . . . 0.0 111.126 -177.904 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.149 0 O-C-N 125.473 1.733 . . . . 0.0 111.33 -178.667 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.095 0 C-N-CA 127.284 2.234 . . . . 0.0 107.469 179.087 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 500' ' ' MXT . . . . . 0.904 ' O11' H232 ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 600' ' ' MXT . . . . . 0.865 H232 ' O11' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.788 ' O ' ' C14' ' A' ' 500' ' ' MXT . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.972 ' C ' H122 ' A' ' 500' ' ' MXT . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 1.137 ' N ' ' C12' ' A' ' 500' ' ' MXT . 10.2 t -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.296 0 O-C-N 125.664 1.852 . . . . 0.0 106.896 166.24 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.692 1 O-C-N 129.178 4.252 . . . . 0.0 108.001 -173.75 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.935 0 CA-C-N 121.088 1.767 . . . . 0.0 112.633 -178.085 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.502 2.154 0 CA-C-N 114.21 -1.359 . . . . 0.0 110.92 -176.123 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.174 0 C-N-CA 126.945 2.098 . . . . 0.0 110.214 -177.487 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.256 1.442 0 O-C-N 120.856 -1.152 . . . . 0.0 109.856 178.348 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.58 0 N-CA-C 105.952 -1.87 . . . . 0.0 105.952 -177.243 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 127.069 2.731 . . . . 0.0 107.839 178.0 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.778 0 CA-C-O 115.479 -2.201 . . . . 0.0 106.417 179.774 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.552 1 O-C-N 130.662 4.976 . . . . 0.0 106.31 173.238 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.147 0 CA-C-O 113.766 -3.016 . . . . 0.0 105.872 -179.845 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.472 0 CA-C-N 121.08 1.763 . . . . 0.0 109.996 -177.776 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.795 0 O-C-N 125.881 1.988 . . . . 0.0 105.741 -176.558 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.366 0 O-C-N 127.497 2.998 . . . . 0.0 112.777 -176.381 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.267 1.985 0 O-C-N 127.246 2.841 . . . . 0.0 112.268 177.659 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.93 0 O-C-N 119.048 -2.282 . . . . 0.0 111.91 -179.713 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.331 -0.216 0 O-C-N 126.668 2.48 . . . . 0.0 109.694 -174.877 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--O 1.242 0.684 0 C-N-CA 124.65 3.566 . . . . 0.0 111.926 179.744 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.475 0.817 0 CA-C-N 111.766 -2.47 . . . . 0.0 106.772 179.148 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.238 0 O-C-N 127.449 3.342 . . . . 0.0 107.931 178.977 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.329 -0.473 0 C-N-CA 121.843 1.696 . . . . 0.0 108.269 178.928 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.605 0 O-C-N 127.089 2.743 . . . . 0.0 112.126 179.968 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -2.008 0 C-N-CA 126.75 2.02 . . . . 0.0 114.898 -174.465 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.698 0 N-CA-C 107.718 -1.215 . . . . 0.0 107.718 174.996 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.3 0 O-C-N 124.91 1.381 . . . . 0.0 113.668 -175.795 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.432 0 CA-C-O 117.364 -1.303 . . . . 0.0 112.764 -179.418 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.311 0 CA-C-N 121.75 2.068 . . . . 0.0 114.983 179.601 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.475 0 C-N-CA 122.149 1.9 . . . . 0.0 113.281 178.081 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.293 -1.889 0 C-N-CA 129.795 3.238 . . . . 0.0 112.242 178.941 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.051 0 O-C-N 119.487 -2.008 . . . . 0.0 109.498 177.999 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.559 1.323 0 CA-C-O 115.535 -2.174 . . . . 0.0 109.21 179.734 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 127.417 2.948 . . . . 0.0 109.389 179.606 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.253 1.253 0 O-C-N 120.287 -1.508 . . . . 0.0 112.9 177.142 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 122.054 0.93 . . . . 0.0 113.322 179.046 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.264 0 C-N-CA 126.487 1.915 . . . . 0.0 109.286 179.711 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 125.088 1.492 . . . . 0.0 110.262 175.869 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.182 0 C-N-CA 127.071 2.149 . . . . 0.0 114.622 178.793 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.545 1.965 0 CA-C-O 117.076 -1.958 . . . . 0.0 112.364 178.498 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-N 118.175 0.988 . . . . 0.0 108.525 179.285 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 107.251 -1.388 . . . . 0.0 107.251 176.03 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.248 0.99 0 C-N-CA 123.884 0.874 . . . . 0.0 112.843 -179.456 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.486 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -175.519 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.31 -1.13 0 C-N-CA 125.003 1.321 . . . . 0.0 108.079 175.046 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 177.245 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.212 -0.912 0 CA-C-N 114.314 -1.312 . . . . 0.0 110.113 -179.941 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-O 116.041 -1.933 . . . . 0.0 112.348 178.799 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.278 -2.526 0 N-CA-C 116.579 2.066 . . . . 0.0 116.579 -174.884 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.573 0 CA-C-O 122.783 1.278 . . . . 0.0 112.291 -178.953 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 122.409 2.072 . . . . 0.0 115.106 -179.526 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 177.618 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.44 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 178.33 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.101 0 O-C-N 118.333 -2.729 . . . . 0.0 114.643 -179.081 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.323 0 N-CA-C 115.959 1.837 . . . . 0.0 115.959 179.666 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.066 0 CA-C-N 120.289 1.139 . . . . 0.0 114.871 -179.62 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.277 1.031 . . . . 0.0 112.043 179.865 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 O-C-N 125.077 1.486 . . . . 0.0 111.486 -179.762 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.255 1.374 0 N-CA-C 116.88 2.178 . . . . 0.0 116.88 179.137 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 127.62 2.368 . . . . 0.0 115.572 -178.075 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.246 0.893 0 N-CA-C 117.113 2.264 . . . . 0.0 117.113 -178.532 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.482 -2.024 0 CA-C-O 115.677 -2.735 . . . . 0.0 118.869 177.659 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.937 0 CA-C-N 124.135 3.968 . . . . 0.0 111.363 179.715 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-O 115.646 -2.121 . . . . 0.0 106.288 177.502 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.528 0 O-C-N 125.489 1.743 . . . . 0.0 107.597 -178.936 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.452 0 O-C-N 125.743 1.902 . . . . 0.0 111.49 -179.633 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-O 122.155 0.979 . . . . 0.0 110.688 179.45 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.033 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 -179.893 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.266 1.967 0 O-C-N 126.049 2.093 . . . . 0.0 116.197 -179.809 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.808 0 CA-C-O 117.916 -1.04 . . . . 0.0 112.594 -178.227 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 1.972 0 N-CA-C 107.812 -2.115 . . . . 0.0 107.812 -178.378 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 125.351 2.501 . . . . 0.0 112.667 -177.845 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.836 0 CA-C-N 110.901 -2.863 . . . . 0.0 110.422 179.214 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.314 -0.961 0 O-C-N 126.35 2.281 . . . . 0.0 105.402 176.631 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.355 0 N-CA-C 117.799 2.518 . . . . 0.0 117.799 -176.56 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 178.814 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 103.798 -2.668 . . . . 0.0 103.798 177.062 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 CA-C-N 112.038 -2.346 . . . . 0.0 108.095 -179.38 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.289 0 N-CA-C 118.531 2.172 . . . . 0.0 118.531 -178.169 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.672 0 O-C-N 121.509 -0.994 . . . . 0.0 112.204 -179.616 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.611 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -177.151 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.848 0 CA-C-O 124.239 1.971 . . . . 0.0 110.076 -179.792 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.247 0.925 0 CA-C-N 113.436 -1.711 . . . . 0.0 108.34 -178.361 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 C--N 1.317 -0.481 0 CA-C-N 114.07 -1.423 . . . . 0.0 110.181 179.274 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 124.802 0.942 . . . . 0.0 110.031 179.912 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.984 0 CA-C-N 114.33 -1.304 . . . . 0.0 109.326 179.31 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.484 1.239 0 O-C-N 124.541 1.15 . . . . 0.0 110.161 178.912 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.825 0 N-CA-C 119.078 2.391 . . . . 0.0 119.078 -179.683 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.214 -0.792 0 O-C-N 120.856 -1.379 . . . . 0.0 109.11 179.454 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 107.049 -1.463 . . . . 0.0 107.049 178.614 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.876 0 O-C-N 125.648 1.843 . . . . 0.0 110.278 179.14 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.306 0.574 . . . . 0.0 111.851 -179.153 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 115.757 -2.068 . . . . 0.0 108.812 -177.912 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.293 -1.883 0 O-C-N 127.259 2.85 . . . . 0.0 110.35 178.75 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 117.683 -1.151 . . . . 0.0 109.586 -179.709 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 O-C-N 128.142 3.402 . . . . 0.0 112.869 -177.753 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.255 0 O-C-N 125.14 1.525 . . . . 0.0 111.772 -178.112 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 123.853 0.861 . . . . 0.0 110.189 178.23 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.29 -1.985 0 N-CA-C 118.028 2.603 . . . . 0.0 118.028 175.631 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.055 0 C-N-CA 124.087 0.955 . . . . 0.0 109.116 177.473 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 127.441 2.963 . . . . 0.0 111.36 -177.939 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.305 -1.362 0 C-N-CA 129.997 3.319 . . . . 0.0 108.979 178.324 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.951 0 O-C-N 126.826 2.579 . . . . 0.0 113.77 -178.154 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 -178.39 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 124.737 1.273 . . . . 0.0 109.948 178.501 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 124.018 0.927 . . . . 0.0 109.147 179.067 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 123.438 0.695 . . . . 0.0 112.711 -178.481 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-O 117.016 -1.469 . . . . 0.0 110.99 -177.858 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.63 0 CA-C-O 116.747 -1.597 . . . . 0.0 110.691 -176.961 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.176 0 CA-C-N 119.513 1.051 . . . . 0.0 112.827 -178.835 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 124.96 1.304 . . . . 0.0 111.663 -178.438 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 124.979 1.424 . . . . 0.0 108.282 -179.58 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 126.569 2.418 . . . . 0.0 111.648 -178.965 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.249 1.034 0 C-N-CA 120.167 -0.613 . . . . 0.0 110.535 177.526 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 -177.767 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.522 0 C-N-CA 125.717 1.607 . . . . 0.0 111.241 177.382 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.466 0.662 0 O-C-N 121.339 -0.851 . . . . 0.0 114.238 -179.419 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.633 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 179.259 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.322 -0.622 0 O-C-N 119.804 -1.81 . . . . 0.0 109.641 -179.32 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 116.332 1.975 . . . . 0.0 116.332 -176.928 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 125.266 1.604 . . . . 0.0 110.308 -176.667 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 112.565 -2.107 . . . . 0.0 108.341 176.012 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 N-CA-C 104.455 -2.424 . . . . 0.0 104.455 178.514 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 125.316 1.635 . . . . 0.0 108.3 -177.718 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.304 -1.242 0 O-C-N 125.852 1.97 . . . . 0.0 111.0 -175.537 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.443 0 O-C-N 126.254 2.713 . . . . 0.0 115.046 -176.523 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.522 0 O-C-N 120.424 -1.422 . . . . 0.0 113.825 177.711 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.363 0 N-CA-C 115.618 1.71 . . . . 0.0 115.618 -176.994 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.263 1.815 0 CA-C-O 115.081 -2.39 . . . . 0.0 112.834 -178.778 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.261 1.665 0 CA-C-N 120.923 1.692 . . . . 0.0 114.814 -177.99 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.311 -1.083 0 C-N-CA 127.07 2.148 . . . . 0.0 111.201 -179.553 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.432 0 O-C-N 126.171 2.17 . . . . 0.0 110.454 -179.737 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 125.364 1.466 . . . . 0.0 107.081 177.856 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.261 1.676 0 C-N-CA 126.556 1.943 . . . . 0.0 112.621 179.024 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.159 0 CA-C-N 113.171 -1.831 . . . . 0.0 111.446 -177.729 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.125 0 C-N-CA 123.815 0.846 . . . . 0.0 113.167 -179.078 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 104.19 -2.522 . . . . 0.0 104.19 177.409 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 104.867 -2.272 . . . . 0.0 104.867 178.613 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 128.488 3.617 . . . . 0.0 116.996 -175.598 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.332 0 N-CA-C 105.315 -3.114 . . . . 0.0 105.315 177.045 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.372 0 O-C-N 128.495 3.115 . . . . 0.0 106.567 179.767 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.244 0.806 0 C-N-CA 118.962 -1.095 . . . . 0.0 112.719 -177.6 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.774 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 177.596 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.828 0 CA-C-O 122.468 1.128 . . . . 0.0 108.066 176.437 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 121.504 1.47 . . . . 0.0 111.823 -179.702 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 176.975 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 105.348 -2.093 . . . . 0.0 105.348 177.53 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 122.789 1.28 . . . . 0.0 110.104 -176.933 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.199 0 CA-C-N 112.673 -2.058 . . . . 0.0 112.759 -179.946 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.207 0 CA-C-N 118.192 0.996 . . . . 0.0 110.78 179.948 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.969 0 O-C-N 123.475 1.25 . . . . 0.0 111.683 177.389 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 103.152 -2.907 . . . . 0.0 103.152 178.536 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.306 -1.321 0 O-C-N 126.85 2.594 . . . . 0.0 112.221 -177.865 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.721 0 N-CA-C 107.57 -1.742 . . . . 0.0 107.57 177.982 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.969 0 O-C-N 128.146 3.404 . . . . 0.0 102.991 179.911 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.266 1.97 0 CA-C-O 116.051 -1.928 . . . . 0.0 108.78 -178.173 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.795 0 N-CA-C 104.074 -3.61 . . . . 0.0 104.074 178.769 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.527 0 CA-C-O 115.64 -2.124 . . . . 0.0 109.491 -177.049 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.72 0 N-CA-C 103.728 -2.693 . . . . 0.0 103.728 -179.485 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.066 0 O-C-N 127.729 3.143 . . . . 0.0 113.496 -178.961 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 106.334 -1.728 . . . . 0.0 106.334 -177.951 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.925 0 N-CA-C 107.617 -2.193 . . . . 0.0 107.617 -179.474 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.567 -2.137 . . . . 0.0 110.271 -178.089 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.312 1 O-C-N 115.441 -4.537 . . . . 0.0 100.616 -171.093 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.445 -1.34 0 CA-C-O 115.273 -2.053 . . . . 0.0 112.127 177.635 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.272 -2.795 0 CA-C-N 120.677 1.58 . . . . 0.0 109.561 177.81 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.425 0 CA-C-N 112.806 -1.997 . . . . 0.0 110.621 178.351 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.283 0 O-C-N 120.956 -1.09 . . . . 0.0 110.385 178.571 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.15 0 O-C-N 125.832 1.957 . . . . 0.0 110.281 -178.383 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.289 -2.058 0 O-C-N 127.026 2.704 . . . . 0.0 107.029 178.995 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.484 -1.594 0 CA-C-O 122.195 0.998 . . . . 0.0 112.961 177.873 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.895 0 O-C-N 117.518 -3.238 . . . . 0.0 114.589 179.658 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.798 0 O-C-N 125.618 1.824 . . . . 0.0 108.126 179.466 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.579 1 O-C-N 129.244 4.09 . . . . 0.0 109.77 179.233 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 120.054 -1.654 . . . . 0.0 111.862 179.039 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.53 0 C-N-CA 125.107 1.363 . . . . 0.0 112.786 178.717 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.054 0 C-N-CA 128.013 2.721 . . . . 0.0 114.268 -179.232 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.273 2.29 0 C-N-CA 128.296 2.638 . . . . 0.0 111.496 -178.431 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 C-N-CA 117.571 -1.652 . . . . 0.0 107.394 179.927 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.074 0 CA-C-O 117.239 -1.363 . . . . 0.0 109.035 179.983 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.32 0 C-N-CA 122.857 2.371 . . . . 0.0 111.734 178.798 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 332' ' ' ASN . . . . . . . . . . . . . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.017 0 O-C-N 118.614 -2.554 . . . . 0.0 115.712 -177.897 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.058 0 C-N-CA 126.649 1.98 . . . . 0.0 110.921 178.235 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.936 0 C-N-CA 123.411 2.74 . . . . 0.0 115.517 -179.664 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.692 0 CA-C-N 121.308 1.867 . . . . 0.0 113.479 177.965 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 124.945 1.298 . . . . 0.0 108.018 -179.979 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.246 0.877 0 C-N-CA 119.066 -1.053 . . . . 0.0 109.776 179.054 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.62 -0.675 . . . . 0.0 109.332 179.085 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 114.257 -1.338 . . . . 0.0 109.759 179.865 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 119.55 1.068 . . . . 0.0 111.962 -178.011 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-O 117.055 -1.45 . . . . 0.0 111.818 -178.018 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 -178.927 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.453 0 CA-C-N 114.615 -1.175 . . . . 0.0 109.178 179.731 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-O 124.873 2.273 . . . . 0.0 109.423 178.314 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.033 0 CA-C-N 112.743 -2.026 . . . . 0.0 111.329 178.764 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-N 121.094 1.77 . . . . 0.0 112.709 179.857 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.301 0 CA-C-O 118.49 -0.767 . . . . 0.0 112.284 -176.275 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 O-C-N 124.061 0.85 . . . . 0.0 109.103 -179.337 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-O 115.218 -2.325 . . . . 0.0 110.866 -178.072 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.307 -1.25 0 O-C-N 127.585 3.053 . . . . 0.0 111.068 178.97 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.771 0 C-N-CA 127.403 2.281 . . . . 0.0 113.744 -177.155 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 125.965 2.041 . . . . 0.0 112.186 -179.887 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.381 0 CA-C-N 121.275 1.852 . . . . 0.0 114.826 179.862 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.593 0 C-N-CA 124.787 1.235 . . . . 0.0 111.432 179.566 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 107.181 -1.415 . . . . 0.0 107.181 178.967 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.233 0 N-CA-C 107.307 -1.368 . . . . 0.0 107.307 178.203 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 O-C-N 124.836 1.335 . . . . 0.0 110.047 -178.695 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-N 113.688 -1.597 . . . . 0.0 110.997 178.351 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 127.094 2.157 . . . . 0.0 112.535 -178.533 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 113.726 -1.579 . . . . 0.0 111.971 179.758 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-O 116.775 -1.583 . . . . 0.0 111.685 -178.29 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 126.513 2.383 . . . . 0.0 107.579 178.898 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 C--N 1.312 -1.032 0 C-N-CA 126.382 1.873 . . . . 0.0 113.13 179.277 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.638 -179.229 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.169 0 O-C-N 124.413 1.07 . . . . 0.0 108.185 178.148 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 116.554 -1.688 . . . . 0.0 112.108 179.023 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.518 0 N-CA-C 115.884 1.809 . . . . 0.0 115.884 -179.726 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 O-C-N 124.46 1.1 . . . . 0.0 111.151 -177.945 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.311 -1.108 0 O-C-N 125.438 1.711 . . . . 0.0 111.399 -178.688 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.04 0 C-N-CA 127.253 2.221 . . . . 0.0 107.481 179.099 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 500' ' ' MXT . . . . . 1.137 ' C12' ' N ' ' A' ' 41' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 600' ' ' MXT . . . . . 0.735 ' O12' H232 ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 23.4 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.301 0 O-C-N 125.664 1.852 . . . . 0.0 106.882 170.273 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.729 1 O-C-N 129.183 4.254 . . . . 0.0 107.996 -176.065 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.944 0 CA-C-N 121.029 1.74 . . . . 0.0 112.644 -178.394 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.193 0 CA-C-N 114.238 -1.346 . . . . 0.0 110.916 -178.766 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.191 0 C-N-CA 127.011 2.124 . . . . 0.0 110.264 -177.918 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.453 0 O-C-N 120.908 -1.12 . . . . 0.0 109.818 179.141 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.26 1.612 0 N-CA-C 105.916 -1.883 . . . . 0.0 105.916 -178.062 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 127.127 2.767 . . . . 0.0 107.818 179.305 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.572 1.806 0 CA-C-O 115.439 -2.22 . . . . 0.0 106.433 179.591 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 C--N 1.278 -2.531 1 O-C-N 130.683 4.989 . . . . 0.0 106.32 177.581 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.177 0 CA-C-O 113.728 -3.034 . . . . 0.0 105.896 -179.814 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-N 121.176 1.807 . . . . 0.0 110.025 -177.761 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.793 0 O-C-N 125.857 1.973 . . . . 0.0 105.771 -176.563 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.254 1.342 0 O-C-N 127.502 3.002 . . . . 0.0 112.748 -176.319 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.926 0 O-C-N 127.186 2.804 . . . . 0.0 112.282 177.617 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.91 0 O-C-N 119.123 -2.236 . . . . 0.0 111.926 -179.639 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.331 -0.207 0 O-C-N 126.634 2.459 . . . . 0.0 109.713 -174.894 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.323 -0.775 0 C-N-CA 124.674 3.583 . . . . 0.0 111.972 179.7 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.857 0 CA-C-N 111.724 -2.489 . . . . 0.0 106.717 179.157 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.26 0 O-C-N 127.533 3.386 . . . . 0.0 107.892 178.981 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.329 -0.498 0 C-N-CA 121.867 1.711 . . . . 0.0 108.28 178.886 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.595 0 O-C-N 127.043 2.714 . . . . 0.0 112.155 179.929 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.996 0 C-N-CA 126.712 2.005 . . . . 0.0 114.899 -174.427 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.703 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 175.005 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.299 0 O-C-N 124.858 1.349 . . . . 0.0 113.681 -175.806 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.403 0 CA-C-O 117.41 -1.281 . . . . 0.0 112.781 -179.413 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.253 1.259 0 CA-C-N 121.734 2.061 . . . . 0.0 114.935 179.634 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.454 0 C-N-CA 122.096 1.864 . . . . 0.0 113.311 178.161 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.893 0 C-N-CA 129.811 3.244 . . . . 0.0 112.273 178.858 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.051 0 O-C-N 119.404 -2.06 . . . . 0.0 109.523 177.987 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.345 0 CA-C-O 115.598 -2.144 . . . . 0.0 109.258 179.724 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 127.403 2.94 . . . . 0.0 109.381 179.594 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.253 1.241 0 O-C-N 120.33 -1.481 . . . . 0.0 112.883 177.189 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 122.023 0.916 . . . . 0.0 113.351 179.023 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.306 -1.286 0 C-N-CA 126.495 1.918 . . . . 0.0 109.276 179.737 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.78 0 O-C-N 125.184 1.552 . . . . 0.0 110.247 175.837 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.142 0 C-N-CA 127.106 2.163 . . . . 0.0 114.601 178.814 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.008 0 CA-C-O 117.035 -1.98 . . . . 0.0 112.348 178.47 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 118.16 0.98 . . . . 0.0 108.555 179.235 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 107.265 -1.383 . . . . 0.0 107.265 176.033 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.942 0 C-N-CA 123.896 0.878 . . . . 0.0 112.857 -179.467 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.463 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -175.569 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.31 -1.131 0 C-N-CA 125.025 1.33 . . . . 0.0 108.084 175.097 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 177.271 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.927 0 CA-C-N 114.318 -1.31 . . . . 0.0 110.066 -179.894 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-O 116.009 -1.948 . . . . 0.0 112.311 178.813 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.278 -2.524 0 N-CA-C 116.585 2.068 . . . . 0.0 116.585 -174.879 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.618 0 CA-C-O 122.755 1.264 . . . . 0.0 112.305 -178.969 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 122.43 2.086 . . . . 0.0 115.113 -179.563 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 177.644 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.441 0 N-CA-C 115.192 1.553 . . . . 0.0 115.192 178.319 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.497 -1.084 0 O-C-N 118.362 -2.711 . . . . 0.0 114.597 -179.077 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.337 0 N-CA-C 115.989 1.848 . . . . 0.0 115.989 179.669 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.04 0 CA-C-N 120.27 1.132 . . . . 0.0 114.891 -179.655 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.241 1.017 . . . . 0.0 112.07 179.835 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 O-C-N 125.049 1.468 . . . . 0.0 111.47 -179.753 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.305 0 N-CA-C 116.918 2.192 . . . . 0.0 116.918 179.139 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 127.611 2.364 . . . . 0.0 115.568 -178.105 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.856 0 N-CA-C 117.114 2.265 . . . . 0.0 117.114 -178.519 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.038 0 CA-C-O 115.656 -2.747 . . . . 0.0 118.826 177.642 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.933 1 CA-C-N 124.215 4.008 . . . . 0.0 111.364 179.752 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-O 115.629 -2.129 . . . . 0.0 106.27 177.546 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.302 -1.49 0 O-C-N 125.486 1.741 . . . . 0.0 107.644 -178.991 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.467 0 O-C-N 125.803 1.939 . . . . 0.0 111.496 -179.673 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 122.115 0.96 . . . . 0.0 110.723 179.489 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.248 1.01 0 N-CA-C 106.757 -1.571 . . . . 0.0 106.757 -179.877 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 1.989 0 O-C-N 126.069 2.106 . . . . 0.0 116.195 -179.81 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.809 0 CA-C-O 117.961 -1.019 . . . . 0.0 112.579 -178.286 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.485 1.932 0 N-CA-C 107.819 -2.112 . . . . 0.0 107.819 -178.434 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 125.381 2.515 . . . . 0.0 112.694 -177.883 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.832 0 CA-C-N 110.871 -2.877 . . . . 0.0 110.407 179.275 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -1.011 0 O-C-N 126.375 2.297 . . . . 0.0 105.438 176.616 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.441 0 N-CA-C 117.739 2.496 . . . . 0.0 117.739 -176.514 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 178.833 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 103.779 -2.674 . . . . 0.0 103.779 177.106 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 CA-C-N 112.024 -2.353 . . . . 0.0 108.018 -179.304 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.337 0 N-CA-C 118.54 2.176 . . . . 0.0 118.54 -178.218 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.688 0 O-C-N 121.421 -1.047 . . . . 0.0 112.23 -179.635 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.66 0 O-C-N 123.665 0.603 . . . . 0.0 112.614 -177.136 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 124.216 1.96 . . . . 0.0 110.074 -179.757 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.873 0 CA-C-N 113.473 -1.694 . . . . 0.0 108.377 -178.445 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 C--N 1.318 -0.432 0 CA-C-N 114.061 -1.427 . . . . 0.0 110.225 179.277 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 124.831 0.959 . . . . 0.0 109.969 179.944 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.981 0 CA-C-N 114.409 -1.269 . . . . 0.0 109.322 179.33 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.224 0 O-C-N 124.605 1.191 . . . . 0.0 110.217 178.879 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 CA--C 1.501 -0.843 0 N-CA-C 119.05 2.38 . . . . 0.0 119.05 -179.632 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.214 -0.815 0 O-C-N 120.833 -1.392 . . . . 0.0 109.124 179.457 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 178.602 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.896 0 O-C-N 125.685 1.865 . . . . 0.0 110.279 179.121 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.336 0.588 . . . . 0.0 111.897 -179.195 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 115.743 -2.075 . . . . 0.0 108.848 -177.947 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.293 -1.877 0 O-C-N 127.255 2.847 . . . . 0.0 110.41 178.702 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-O 117.671 -1.157 . . . . 0.0 109.581 -179.713 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 O-C-N 128.178 3.424 . . . . 0.0 112.821 -177.678 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.281 0 O-C-N 125.083 1.489 . . . . 0.0 111.699 -178.06 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 123.848 0.859 . . . . 0.0 110.178 178.288 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.941 0 N-CA-C 118.064 2.616 . . . . 0.0 118.064 175.672 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.032 0 C-N-CA 124.097 0.959 . . . . 0.0 109.037 177.551 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 127.417 2.948 . . . . 0.0 111.376 -177.893 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.41 0 C-N-CA 129.963 3.305 . . . . 0.0 108.995 178.291 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.923 0 O-C-N 126.779 2.55 . . . . 0.0 113.776 -178.122 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 -178.441 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 124.709 1.256 . . . . 0.0 110.002 178.499 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.303 -1.445 0 C-N-CA 124.051 0.94 . . . . 0.0 109.215 179.026 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.855 0 C-N-CA 123.463 0.705 . . . . 0.0 112.714 -178.491 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-O 117.017 -1.468 . . . . 0.0 110.967 -177.811 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.622 0 CA-C-O 116.796 -1.573 . . . . 0.0 110.724 -176.94 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.252 1.185 0 CA-C-N 119.531 1.06 . . . . 0.0 112.838 -178.878 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 124.984 1.314 . . . . 0.0 111.707 -178.479 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.674 0 O-C-N 125.044 1.465 . . . . 0.0 108.312 -179.616 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 126.581 2.426 . . . . 0.0 111.63 -178.941 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 0.996 0 C-N-CA 120.132 -0.627 . . . . 0.0 110.517 177.555 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.728 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -177.755 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.542 0 C-N-CA 125.678 1.591 . . . . 0.0 111.259 177.374 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.466 0.687 0 O-C-N 121.283 -0.886 . . . . 0.0 114.225 -179.437 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.625 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 179.246 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.32 -0.674 0 O-C-N 119.892 -1.755 . . . . 0.0 109.631 -179.322 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 116.37 1.989 . . . . 0.0 116.37 -177.007 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 125.267 1.605 . . . . 0.0 110.32 -176.657 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--O 1.212 -0.893 0 CA-C-N 112.524 -2.126 . . . . 0.0 108.282 176.007 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 N-CA-C 104.515 -2.402 . . . . 0.0 104.515 178.46 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 125.374 1.671 . . . . 0.0 108.276 -177.669 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.302 -1.325 0 O-C-N 125.918 2.011 . . . . 0.0 111.01 -175.569 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.437 0 O-C-N 126.291 2.732 . . . . 0.0 115.06 -176.547 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.505 0 O-C-N 120.436 -1.415 . . . . 0.0 113.859 177.673 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.385 0 N-CA-C 115.583 1.698 . . . . 0.0 115.583 -176.968 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--N 1.295 -1.798 0 CA-C-O 115.095 -2.383 . . . . 0.0 112.809 -178.741 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.259 1.595 0 CA-C-N 120.913 1.688 . . . . 0.0 114.858 -177.984 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.047 0 C-N-CA 127.04 2.136 . . . . 0.0 111.217 -179.584 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 O-C-N 126.255 2.222 . . . . 0.0 110.46 -179.738 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 125.352 1.461 . . . . 0.0 107.062 177.927 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.736 0 C-N-CA 126.635 1.974 . . . . 0.0 112.584 178.988 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.252 1.21 0 CA-C-N 113.194 -1.821 . . . . 0.0 111.441 -177.695 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.127 0 C-N-CA 123.875 0.87 . . . . 0.0 113.166 -179.107 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 N-CA-C 104.139 -2.541 . . . . 0.0 104.139 177.434 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 104.825 -2.287 . . . . 0.0 104.825 178.63 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 128.489 3.618 . . . . 0.0 117.015 -175.651 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.584 4.37 0 N-CA-C 105.28 -3.128 . . . . 0.0 105.28 177.082 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.392 0 O-C-N 128.504 3.12 . . . . 0.0 106.55 179.804 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.827 0 C-N-CA 118.94 -1.104 . . . . 0.0 112.689 -177.617 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.763 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 177.532 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.816 0 CA-C-O 122.47 1.128 . . . . 0.0 108.128 176.398 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.291 0 C-N-CA 121.518 1.479 . . . . 0.0 111.865 -179.704 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 177.016 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 105.308 -2.108 . . . . 0.0 105.308 177.504 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 122.808 1.289 . . . . 0.0 110.101 -176.974 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.25 1.141 0 CA-C-N 112.613 -2.085 . . . . 0.0 112.771 179.15 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.23 0 CA-C-N 118.163 0.981 . . . . 0.0 110.735 179.723 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.927 0 O-C-N 123.474 1.249 . . . . 0.0 111.637 177.279 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 103.168 -2.901 . . . . 0.0 103.168 178.476 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.306 -1.326 0 O-C-N 126.851 2.594 . . . . 0.0 112.256 -178.664 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.693 0 N-CA-C 107.558 -1.747 . . . . 0.0 107.558 179.572 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.942 0 O-C-N 128.117 3.386 . . . . 0.0 103.049 -179.936 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 2.0 0 CA-C-O 115.981 -1.961 . . . . 0.0 108.828 179.262 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.827 0 N-CA-C 104.068 -3.613 . . . . 0.0 104.068 -179.289 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.525 0 CA-C-O 115.702 -2.094 . . . . 0.0 109.476 -178.068 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.569 1.69 0 N-CA-C 103.747 -2.686 . . . . 0.0 103.747 -179.134 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.074 0 O-C-N 127.692 3.12 . . . . 0.0 113.513 -179.077 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 106.37 -1.715 . . . . 0.0 106.37 -177.998 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.957 0 O-C-N 126.27 2.231 . . . . 0.0 107.614 -179.376 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.081 -2.423 . . . . 0.0 110.271 -177.564 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--N 1.304 -1.382 1 O-C-N 115.349 -4.594 . . . . 0.0 100.631 -174.499 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.307 0 CA-C-O 115.204 -2.082 . . . . 0.0 112.1 -179.779 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.817 0 CA-C-N 120.716 1.598 . . . . 0.0 109.598 177.821 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.423 0 CA-C-N 112.809 -1.996 . . . . 0.0 110.637 178.27 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.285 0 O-C-N 120.973 -1.079 . . . . 0.0 110.447 178.547 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.141 0 O-C-N 125.835 1.959 . . . . 0.0 110.257 -178.387 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.066 0 O-C-N 127.031 2.707 . . . . 0.0 107.036 178.971 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.598 0 CA-C-O 122.27 1.033 . . . . 0.0 112.954 177.909 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.89 0 O-C-N 117.446 -3.284 . . . . 0.0 114.595 179.604 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.801 0 O-C-N 125.594 1.809 . . . . 0.0 108.14 179.514 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.565 1 O-C-N 129.177 4.048 . . . . 0.0 109.771 179.158 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 120.019 -1.676 . . . . 0.0 111.873 179.053 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 125.143 1.377 . . . . 0.0 112.742 178.732 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.048 0 C-N-CA 128.012 2.72 . . . . 0.0 114.352 -179.34 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.246 0 C-N-CA 128.227 2.611 . . . . 0.0 111.433 -178.295 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 C-N-CA 117.586 -1.646 . . . . 0.0 107.4 179.541 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.106 0 CA-C-O 117.283 -1.341 . . . . 0.0 109.011 -179.661 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.314 0 C-N-CA 122.855 2.37 . . . . 0.0 111.762 179.305 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 332' ' ' ASN . . . . . . . . . . . . . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.021 0 O-C-N 118.643 -2.535 . . . . 0.0 115.679 -177.664 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.056 0 C-N-CA 126.58 1.952 . . . . 0.0 110.944 179.218 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.506 -0.884 0 C-N-CA 123.458 2.772 . . . . 0.0 115.482 178.778 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-N 121.28 1.855 . . . . 0.0 113.464 178.006 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 124.969 1.308 . . . . 0.0 107.989 -179.955 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.244 0.811 0 C-N-CA 119.05 -1.06 . . . . 0.0 109.764 179.128 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.6 -0.688 . . . . 0.0 109.343 179.1 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 114.178 -1.373 . . . . 0.0 109.749 179.828 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-N 119.572 1.078 . . . . 0.0 111.916 -177.963 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-O 117.057 -1.449 . . . . 0.0 111.825 -177.98 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 115.048 1.499 . . . . 0.0 115.048 -178.903 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.459 0 CA-C-N 114.576 -1.193 . . . . 0.0 109.164 179.703 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-O 124.814 2.245 . . . . 0.0 109.453 178.329 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.499 -1.017 0 CA-C-N 112.76 -2.018 . . . . 0.0 111.322 178.754 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.74 0 CA-C-N 121.076 1.762 . . . . 0.0 112.746 179.858 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.291 0 CA-C-O 118.51 -0.757 . . . . 0.0 112.301 -176.316 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 O-C-N 124.043 0.84 . . . . 0.0 109.074 -179.314 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-O 115.229 -2.32 . . . . 0.0 110.9 -178.116 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.202 0 O-C-N 127.552 3.032 . . . . 0.0 111.055 178.972 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.792 0 C-N-CA 127.367 2.267 . . . . 0.0 113.791 -177.163 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 125.973 2.046 . . . . 0.0 112.188 -179.919 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.361 0 CA-C-N 121.33 1.877 . . . . 0.0 114.812 179.866 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.565 0 C-N-CA 124.812 1.245 . . . . 0.0 111.417 179.519 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 178.907 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.307 -1.247 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 178.222 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 O-C-N 124.781 1.301 . . . . 0.0 110.05 -178.656 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 113.627 -1.624 . . . . 0.0 111.048 178.316 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.513 0 C-N-CA 127.122 2.169 . . . . 0.0 112.518 -178.521 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 113.702 -1.59 . . . . 0.0 111.954 179.774 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-O 116.746 -1.597 . . . . 0.0 111.658 -178.264 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 126.51 2.381 . . . . 0.0 107.498 178.934 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 C--N 1.313 -1.019 0 C-N-CA 126.399 1.88 . . . . 0.0 113.125 179.254 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.591 -179.176 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.193 0 O-C-N 124.454 1.096 . . . . 0.0 108.246 178.144 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 116.61 -1.662 . . . . 0.0 112.116 179.066 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.512 0 N-CA-C 115.942 1.83 . . . . 0.0 115.942 -179.772 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.673 0 O-C-N 124.444 1.09 . . . . 0.0 111.075 -177.951 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.309 -1.165 0 O-C-N 125.458 1.724 . . . . 0.0 111.39 -178.662 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.09 0 C-N-CA 127.258 2.223 . . . . 0.0 107.457 179.103 . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 500' ' ' MXT . . . . . 0.898 ' O11' H232 ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 600' ' ' MXT . . . . . 0.57 ' O12' H232 ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.437 ' C ' H122 ' A' ' 500' ' ' MXT . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 1.034 ' H ' H121 ' A' ' 500' ' ' MXT . 2.0 m -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.296 0 O-C-N 125.664 1.852 . . . . 0.0 106.872 169.168 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.721 1 O-C-N 129.21 4.268 . . . . 0.0 107.989 -175.639 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.899 0 CA-C-N 121.016 1.734 . . . . 0.0 112.59 -178.003 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.186 0 CA-C-N 114.25 -1.341 . . . . 0.0 110.918 -177.384 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.194 0 C-N-CA 127.037 2.135 . . . . 0.0 110.27 -177.211 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.256 1.429 0 O-C-N 120.88 -1.138 . . . . 0.0 109.86 179.159 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.561 0 N-CA-C 105.963 -1.865 . . . . 0.0 105.963 -177.256 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 127.124 2.765 . . . . 0.0 107.847 179.585 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.756 0 CA-C-O 115.444 -2.217 . . . . 0.0 106.465 178.363 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 C--N 1.277 -2.55 1 O-C-N 130.667 4.979 . . . . 0.0 106.317 177.377 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.128 0 CA-C-O 113.743 -3.027 . . . . 0.0 105.879 -179.815 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-N 121.143 1.792 . . . . 0.0 110.034 -177.791 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 125.864 1.978 . . . . 0.0 105.799 -176.586 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.376 0 O-C-N 127.475 2.984 . . . . 0.0 112.731 -176.344 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.267 2.003 0 O-C-N 127.237 2.836 . . . . 0.0 112.207 177.663 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.314 -0.936 0 O-C-N 119.049 -2.282 . . . . 0.0 111.833 -179.597 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--O 1.225 -0.211 0 O-C-N 126.634 2.459 . . . . 0.0 109.708 -174.847 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.323 -0.768 0 C-N-CA 124.68 3.587 . . . . 0.0 111.918 179.724 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.847 0 CA-C-N 111.741 -2.481 . . . . 0.0 106.811 179.124 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.315 -1.231 0 O-C-N 127.506 3.371 . . . . 0.0 107.897 179.0 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.514 0 CA-C-O 116.15 -1.688 . . . . 0.0 108.349 178.821 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.608 0 O-C-N 127.076 2.735 . . . . 0.0 112.129 179.995 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -2.001 0 C-N-CA 126.727 2.011 . . . . 0.0 114.879 -174.482 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.693 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 175.011 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 124.872 1.357 . . . . 0.0 113.588 -175.758 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.257 1.45 0 CA-C-O 117.432 -1.271 . . . . 0.0 112.775 -179.398 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.295 0 CA-C-N 121.744 2.066 . . . . 0.0 114.917 179.609 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.311 -1.437 0 C-N-CA 122.129 1.886 . . . . 0.0 113.297 178.117 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.885 0 C-N-CA 129.785 3.234 . . . . 0.0 112.259 178.937 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.039 0 O-C-N 119.416 -2.053 . . . . 0.0 109.493 178.011 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.347 0 CA-C-O 115.545 -2.169 . . . . 0.0 109.216 179.719 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 127.428 2.955 . . . . 0.0 109.412 179.632 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.253 1.277 0 O-C-N 120.305 -1.497 . . . . 0.0 112.834 177.198 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 122.048 0.927 . . . . 0.0 113.377 179.044 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.306 -1.287 0 C-N-CA 126.5 1.92 . . . . 0.0 109.267 179.718 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 125.07 1.481 . . . . 0.0 110.276 175.838 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.161 0 C-N-CA 127.049 2.14 . . . . 0.0 114.618 178.793 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.01 0 CA-C-O 117.075 -1.958 . . . . 0.0 112.372 178.463 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 118.15 0.975 . . . . 0.0 108.471 179.284 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 176.013 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.944 0 C-N-CA 123.928 0.891 . . . . 0.0 112.916 -179.489 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.474 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -175.567 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.097 0 C-N-CA 124.999 1.319 . . . . 0.0 108.103 175.067 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 177.266 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.961 0 CA-C-N 114.299 -1.319 . . . . 0.0 110.096 -179.881 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 115.934 -1.984 . . . . 0.0 112.27 178.85 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.565 0 C-N-CA 126.869 2.067 . . . . 0.0 116.516 -174.833 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.587 0 CA-C-O 122.74 1.257 . . . . 0.0 112.294 -178.891 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 122.428 2.085 . . . . 0.0 115.096 -179.563 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 177.685 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.414 0 N-CA-C 115.189 1.551 . . . . 0.0 115.189 178.296 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.497 -1.063 0 O-C-N 118.322 -2.736 . . . . 0.0 114.611 -179.041 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.299 0 N-CA-C 115.974 1.842 . . . . 0.0 115.974 179.681 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.053 0 CA-C-N 120.29 1.139 . . . . 0.0 114.844 -179.593 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.314 1.046 . . . . 0.0 112.052 179.809 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 O-C-N 125.102 1.501 . . . . 0.0 111.415 -179.697 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.255 1.353 0 N-CA-C 116.891 2.182 . . . . 0.0 116.891 179.184 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 127.633 2.373 . . . . 0.0 115.554 -178.068 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.839 0 N-CA-C 117.14 2.274 . . . . 0.0 117.14 -178.531 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.088 0 CA-C-O 115.738 -2.701 . . . . 0.0 118.868 177.685 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.292 -1.909 0 CA-C-N 124.156 3.978 . . . . 0.0 111.421 179.697 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-O 115.643 -2.122 . . . . 0.0 106.278 177.525 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.517 0 O-C-N 125.51 1.756 . . . . 0.0 107.617 -178.944 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.484 0 O-C-N 125.717 1.885 . . . . 0.0 111.493 -179.637 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-O 122.085 0.945 . . . . 0.0 110.73 179.438 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.248 1.009 0 N-CA-C 106.746 -1.576 . . . . 0.0 106.746 -179.89 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 1.976 0 O-C-N 126.035 2.085 . . . . 0.0 116.214 -179.808 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.264 1.83 0 CA-C-O 117.887 -1.054 . . . . 0.0 112.586 -178.223 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 1.99 0 N-CA-C 107.763 -2.135 . . . . 0.0 107.763 -178.412 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 125.342 2.496 . . . . 0.0 112.685 -177.869 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.858 0 CA-C-N 110.861 -2.881 . . . . 0.0 110.411 179.201 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 126.396 2.31 . . . . 0.0 105.383 176.63 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.36 0 N-CA-C 117.812 2.523 . . . . 0.0 117.812 -176.586 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 178.854 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 103.861 -2.644 . . . . 0.0 103.861 177.054 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 CA-C-N 112.021 -2.354 . . . . 0.0 108.018 -179.288 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.317 0 N-CA-C 118.59 2.196 . . . . 0.0 118.59 -178.258 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.243 0.716 0 O-C-N 121.459 -1.024 . . . . 0.0 112.215 -179.657 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.664 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -177.209 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.867 0 CA-C-O 124.242 1.973 . . . . 0.0 110.039 -179.771 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.87 0 CA-C-N 113.435 -1.711 . . . . 0.0 108.375 -178.365 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.463 0.473 0 CA-C-N 114.036 -1.438 . . . . 0.0 110.211 179.3 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 124.787 0.934 . . . . 0.0 109.992 179.919 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 1.002 0 CA-C-N 114.423 -1.262 . . . . 0.0 109.354 179.31 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.222 0 O-C-N 124.553 1.158 . . . . 0.0 110.169 178.869 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 CA--C 1.5 -0.859 0 N-CA-C 119.067 2.387 . . . . 0.0 119.067 -179.692 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.214 -0.805 0 O-C-N 120.802 -1.41 . . . . 0.0 109.058 179.495 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.297 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 178.646 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.874 0 O-C-N 125.697 1.873 . . . . 0.0 110.241 179.15 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.316 0.579 . . . . 0.0 111.902 -179.141 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 115.795 -2.05 . . . . 0.0 108.824 -177.933 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.293 -1.873 0 O-C-N 127.215 2.822 . . . . 0.0 110.391 178.735 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-O 117.672 -1.156 . . . . 0.0 109.604 -179.742 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 O-C-N 128.123 3.39 . . . . 0.0 112.805 -177.67 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.272 0 O-C-N 125.134 1.521 . . . . 0.0 111.722 -178.098 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 123.849 0.86 . . . . 0.0 110.229 178.265 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.292 -1.926 0 N-CA-C 118.094 2.627 . . . . 0.0 118.094 175.743 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.045 0 C-N-CA 124.071 0.948 . . . . 0.0 109.086 177.497 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 127.417 2.948 . . . . 0.0 111.327 -177.949 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 130.027 3.331 . . . . 0.0 108.973 178.288 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.971 0 O-C-N 126.779 2.55 . . . . 0.0 113.74 -178.143 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 115.248 1.573 . . . . 0.0 115.248 -178.398 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 124.739 1.274 . . . . 0.0 109.94 178.548 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.303 -1.417 0 C-N-CA 124.045 0.938 . . . . 0.0 109.184 179.031 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.876 0 C-N-CA 123.516 0.726 . . . . 0.0 112.73 -178.477 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-O 117.018 -1.468 . . . . 0.0 111.017 -177.845 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.622 0 CA-C-O 116.797 -1.573 . . . . 0.0 110.689 -176.964 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.17 0 CA-C-N 119.564 1.075 . . . . 0.0 112.834 -178.882 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 124.909 1.284 . . . . 0.0 111.717 -178.473 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 125.054 1.471 . . . . 0.0 108.278 -179.57 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 126.563 2.414 . . . . 0.0 111.571 -178.93 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 0.976 0 C-N-CA 120.156 -0.618 . . . . 0.0 110.494 177.604 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 -177.736 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.532 0 C-N-CA 125.659 1.584 . . . . 0.0 111.238 177.428 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 C--O 1.243 0.702 0 O-C-N 121.272 -0.892 . . . . 0.0 114.285 -179.39 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.51 -0.581 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 179.238 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 119.859 -1.775 . . . . 0.0 109.622 -179.346 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 116.405 2.002 . . . . 0.0 116.405 -177.04 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 125.221 1.576 . . . . 0.0 110.326 -176.641 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 112.54 -2.118 . . . . 0.0 108.303 175.997 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 N-CA-C 104.524 -2.399 . . . . 0.0 104.524 178.518 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 125.371 1.669 . . . . 0.0 108.275 -177.65 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.302 -1.31 0 O-C-N 125.89 1.994 . . . . 0.0 110.973 -175.527 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.461 0 O-C-N 126.249 2.71 . . . . 0.0 115.037 -176.519 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.522 0 O-C-N 120.438 -1.414 . . . . 0.0 113.796 177.707 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.375 0 N-CA-C 115.599 1.703 . . . . 0.0 115.599 -176.969 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.264 1.829 0 CA-C-O 115.103 -2.379 . . . . 0.0 112.769 -178.716 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.259 1.599 0 CA-C-N 120.94 1.7 . . . . 0.0 114.864 -177.99 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.035 0 C-N-CA 126.987 2.115 . . . . 0.0 111.196 -179.569 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 O-C-N 126.195 2.184 . . . . 0.0 110.486 -179.744 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 125.361 1.464 . . . . 0.0 107.076 177.874 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.718 0 C-N-CA 126.615 1.966 . . . . 0.0 112.602 179.006 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.15 0 CA-C-N 113.176 -1.829 . . . . 0.0 111.419 -177.683 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.309 -1.162 0 C-N-CA 123.861 0.864 . . . . 0.0 113.193 -179.062 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 104.17 -2.53 . . . . 0.0 104.17 177.435 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 104.814 -2.291 . . . . 0.0 104.814 178.65 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 128.537 3.648 . . . . 0.0 116.933 -175.605 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.303 0 N-CA-C 105.36 -3.096 . . . . 0.0 105.36 177.025 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.273 2.304 0 O-C-N 128.515 3.127 . . . . 0.0 106.486 179.83 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.843 0 C-N-CA 118.94 -1.104 . . . . 0.0 112.695 -177.608 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 177.539 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.823 0 CA-C-O 122.468 1.127 . . . . 0.0 108.101 176.422 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 121.526 1.484 . . . . 0.0 111.842 -179.738 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 177.001 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 105.331 -2.1 . . . . 0.0 105.331 177.542 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 122.804 1.288 . . . . 0.0 110.126 -176.902 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.201 0 CA-C-N 112.651 -2.068 . . . . 0.0 112.732 179.601 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.223 0 CA-C-N 118.232 1.016 . . . . 0.0 110.73 179.793 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.955 0 O-C-N 123.514 1.271 . . . . 0.0 111.692 177.059 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 103.149 -2.908 . . . . 0.0 103.149 178.607 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.306 -1.309 0 O-C-N 126.846 2.591 . . . . 0.0 112.185 -178.703 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.691 0 N-CA-C 107.549 -1.751 . . . . 0.0 107.549 -179.878 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.944 0 O-C-N 128.094 3.371 . . . . 0.0 102.956 -179.95 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 2.008 0 CA-C-O 115.943 -1.98 . . . . 0.0 108.811 -179.593 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 C--N 1.293 -1.826 0 N-CA-C 104.101 -3.599 . . . . 0.0 104.101 -179.491 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.528 0 CA-C-O 115.7 -2.095 . . . . 0.0 109.522 -177.782 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.716 0 N-CA-C 103.73 -2.693 . . . . 0.0 103.73 -179.776 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.077 0 O-C-N 127.715 3.134 . . . . 0.0 113.533 -178.295 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 106.32 -1.733 . . . . 0.0 106.32 -178.033 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.947 0 O-C-N 126.306 2.254 . . . . 0.0 107.639 -179.266 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.343 -2.269 . . . . 0.0 110.271 -177.31 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.253 1.275 0 N-CA-C 100.611 -3.848 . . . . 0.0 100.611 -177.764 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.322 0 CA-C-O 115.227 -2.072 . . . . 0.0 112.077 179.681 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.272 -2.795 0 CA-C-N 120.739 1.608 . . . . 0.0 109.562 177.832 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.436 0 CA-C-N 112.822 -1.99 . . . . 0.0 110.591 178.334 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.432 -1.333 0 O-C-N 120.925 -1.109 . . . . 0.0 110.406 178.535 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.17 0 O-C-N 125.794 1.934 . . . . 0.0 110.277 -178.335 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.074 0 O-C-N 127.074 2.734 . . . . 0.0 107.068 178.92 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.606 0 CA-C-O 122.224 1.011 . . . . 0.0 112.902 177.909 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.878 0 O-C-N 117.448 -3.282 . . . . 0.0 114.546 179.725 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.791 0 O-C-N 125.641 1.838 . . . . 0.0 108.125 179.511 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.299 -1.606 1 O-C-N 129.242 4.089 . . . . 0.0 109.77 179.163 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 120.004 -1.685 . . . . 0.0 111.863 179.086 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.529 0 C-N-CA 125.127 1.371 . . . . 0.0 112.767 178.752 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.062 0 C-N-CA 127.982 2.706 . . . . 0.0 114.323 -178.833 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.289 0 C-N-CA 128.275 2.63 . . . . 0.0 111.556 -178.903 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 C-N-CA 117.585 -1.646 . . . . 0.0 107.401 -179.604 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.289 -2.057 0 CA-C-O 117.275 -1.345 . . . . 0.0 109.026 -179.805 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 N--CA 1.49 1.322 0 C-N-CA 122.862 2.374 . . . . 0.0 111.735 179.74 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 332' ' ' ASN . . . . . . . . . . . . . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.014 0 O-C-N 118.636 -2.54 . . . . 0.0 115.706 -176.318 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.313 -1.018 0 C-N-CA 126.614 1.966 . . . . 0.0 110.916 179.335 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.506 -0.919 0 C-N-CA 123.448 2.766 . . . . 0.0 115.48 -178.46 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.701 0 CA-C-N 121.299 1.863 . . . . 0.0 113.476 177.971 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.799 0 C-N-CA 124.954 1.301 . . . . 0.0 108.063 179.957 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.863 0 C-N-CA 119.026 -1.069 . . . . 0.0 109.76 179.104 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.589 -0.694 . . . . 0.0 109.293 179.113 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 114.211 -1.359 . . . . 0.0 109.715 179.875 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-N 119.578 1.081 . . . . 0.0 111.928 -177.958 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-O 117.039 -1.458 . . . . 0.0 111.858 -178.0 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 115.033 1.494 . . . . 0.0 115.033 -178.96 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.482 0 CA-C-N 114.547 -1.206 . . . . 0.0 109.144 179.806 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-O 124.889 2.281 . . . . 0.0 109.456 178.323 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.048 0 CA-C-N 112.703 -2.044 . . . . 0.0 111.32 178.756 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.73 0 CA-C-N 121.105 1.775 . . . . 0.0 112.741 179.841 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.295 0 CA-C-O 118.458 -0.782 . . . . 0.0 112.316 -176.306 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 O-C-N 124.096 0.873 . . . . 0.0 109.117 -179.332 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-O 115.234 -2.317 . . . . 0.0 110.893 -178.128 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.222 0 O-C-N 127.556 3.035 . . . . 0.0 111.035 179.005 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.784 0 C-N-CA 127.374 2.27 . . . . 0.0 113.722 -177.118 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 125.997 2.061 . . . . 0.0 112.15 -179.859 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.378 0 CA-C-N 121.329 1.877 . . . . 0.0 114.798 179.813 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.572 0 C-N-CA 124.801 1.241 . . . . 0.0 111.364 179.588 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 178.945 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.307 -1.246 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 178.274 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 O-C-N 124.811 1.319 . . . . 0.0 110.046 -178.696 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 113.65 -1.614 . . . . 0.0 111.052 178.316 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.501 0 C-N-CA 127.105 2.162 . . . . 0.0 112.524 -178.505 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 113.716 -1.584 . . . . 0.0 111.97 179.762 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 116.706 -1.616 . . . . 0.0 111.668 -178.319 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 126.54 2.4 . . . . 0.0 107.503 178.931 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.051 0 C-N-CA 126.401 1.88 . . . . 0.0 113.139 179.26 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.611 -179.214 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.308 -1.227 0 O-C-N 124.466 1.104 . . . . 0.0 108.215 178.179 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 116.567 -1.682 . . . . 0.0 112.093 179.075 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.257 1.493 0 N-CA-C 115.911 1.819 . . . . 0.0 115.911 -179.759 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 O-C-N 124.47 1.106 . . . . 0.0 111.097 -177.95 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.137 0 O-C-N 125.528 1.767 . . . . 0.0 111.375 -178.678 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.076 0 C-N-CA 127.277 2.231 . . . . 0.0 107.454 179.098 . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 500' ' ' MXT . . . . . 1.034 H121 ' H ' ' A' ' 41' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 600' ' ' MXT . . . . . 0.781 H232 ' O11' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 31.6 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 1.044 ' H ' H121 ' A' ' 500' ' ' MXT . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.298 0 O-C-N 125.664 1.852 . . . . 0.0 106.878 167.809 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.73 1 O-C-N 129.214 4.271 . . . . 0.0 107.967 -172.867 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.918 0 CA-C-N 121.003 1.728 . . . . 0.0 112.606 -178.551 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.206 0 CA-C-N 114.224 -1.353 . . . . 0.0 110.944 -177.255 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.187 0 C-N-CA 126.964 2.105 . . . . 0.0 110.213 -176.268 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.256 1.446 0 O-C-N 120.91 -1.119 . . . . 0.0 109.814 179.765 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.603 0 N-CA-C 105.963 -1.866 . . . . 0.0 105.963 -176.964 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 127.185 2.803 . . . . 0.0 107.86 -179.365 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.57 1.736 0 CA-C-O 115.435 -2.221 . . . . 0.0 106.457 177.195 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.566 1 O-C-N 130.653 4.971 . . . . 0.0 106.328 177.858 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.128 0 CA-C-O 113.784 -3.008 . . . . 0.0 105.819 -179.789 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-N 121.105 1.775 . . . . 0.0 110.012 -177.755 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.802 0 O-C-N 125.919 2.012 . . . . 0.0 105.785 -176.607 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.381 0 O-C-N 127.461 2.975 . . . . 0.0 112.731 -176.366 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.955 0 O-C-N 127.252 2.845 . . . . 0.0 112.295 177.622 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.314 -0.936 0 O-C-N 119.111 -2.243 . . . . 0.0 111.95 -179.681 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.331 -0.202 0 O-C-N 126.637 2.461 . . . . 0.0 109.72 -174.883 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.73 0 C-N-CA 124.649 3.566 . . . . 0.0 111.936 179.765 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.475 0.823 0 CA-C-N 111.779 -2.464 . . . . 0.0 106.736 179.134 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.253 0 O-C-N 127.543 3.391 . . . . 0.0 107.89 178.977 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.514 0 C-N-CA 121.845 1.697 . . . . 0.0 108.278 178.856 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.426 -1.632 0 O-C-N 127.029 2.705 . . . . 0.0 112.171 179.941 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.996 0 C-N-CA 126.744 2.018 . . . . 0.0 114.935 -174.48 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.57 1.713 0 N-CA-C 107.683 -1.228 . . . . 0.0 107.683 175.054 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 124.893 1.371 . . . . 0.0 113.62 -175.749 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.435 0 CA-C-O 117.42 -1.276 . . . . 0.0 112.791 -179.453 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.253 1.279 0 CA-C-N 121.725 2.057 . . . . 0.0 114.967 179.545 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.452 0 C-N-CA 122.143 1.896 . . . . 0.0 113.338 178.073 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.895 0 C-N-CA 129.772 3.229 . . . . 0.0 112.268 178.887 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.04 0 O-C-N 119.398 -2.064 . . . . 0.0 109.505 177.989 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.559 1.324 0 CA-C-O 115.611 -2.138 . . . . 0.0 109.242 179.742 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 127.349 2.905 . . . . 0.0 109.383 179.599 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.219 0 O-C-N 120.315 -1.491 . . . . 0.0 112.899 177.154 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-O 122.053 0.93 . . . . 0.0 113.377 179.022 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.269 0 C-N-CA 126.515 1.926 . . . . 0.0 109.254 179.769 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 125.13 1.519 . . . . 0.0 110.235 175.892 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.143 0 C-N-CA 127.051 2.14 . . . . 0.0 114.599 178.798 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 1.999 0 CA-C-O 117.079 -1.956 . . . . 0.0 112.323 178.435 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-N 118.161 0.98 . . . . 0.0 108.49 179.259 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 107.227 -1.398 . . . . 0.0 107.227 176.02 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.93 0 C-N-CA 123.877 0.871 . . . . 0.0 112.867 -179.518 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.467 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 -175.565 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.31 -1.126 0 C-N-CA 125.057 1.343 . . . . 0.0 108.1 175.096 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.276 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.931 0 CA-C-N 114.318 -1.31 . . . . 0.0 110.05 -179.897 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-O 115.932 -1.985 . . . . 0.0 112.281 178.783 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.276 -2.588 0 C-N-CA 126.885 2.074 . . . . 0.0 116.558 -174.913 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.609 0 CA-C-O 122.765 1.269 . . . . 0.0 112.333 -178.943 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 122.372 2.048 . . . . 0.0 115.11 -179.523 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 107.459 -1.312 . . . . 0.0 107.459 177.64 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.257 1.468 0 N-CA-C 115.156 1.539 . . . . 0.0 115.156 178.34 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.497 -1.086 0 O-C-N 118.362 -2.711 . . . . 0.0 114.62 -179.06 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.314 0 N-CA-C 115.954 1.835 . . . . 0.0 115.954 179.687 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.052 0 CA-C-N 120.246 1.123 . . . . 0.0 114.858 -179.594 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.294 1.038 . . . . 0.0 112.028 179.892 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 O-C-N 125.102 1.501 . . . . 0.0 111.433 -179.71 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.315 0 N-CA-C 116.934 2.198 . . . . 0.0 116.934 179.1 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 127.608 2.363 . . . . 0.0 115.576 -178.071 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.839 0 N-CA-C 117.129 2.27 . . . . 0.0 117.129 -178.542 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.035 0 CA-C-O 115.684 -2.731 . . . . 0.0 118.826 177.668 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.961 0 CA-C-N 124.194 3.997 . . . . 0.0 111.369 179.718 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.652 -2.118 . . . . 0.0 106.259 177.524 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.302 -1.494 0 O-C-N 125.459 1.724 . . . . 0.0 107.616 -178.948 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.256 1.44 0 O-C-N 125.762 1.914 . . . . 0.0 111.452 -179.625 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-O 122.104 0.954 . . . . 0.0 110.703 179.453 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.055 0 N-CA-C 106.723 -1.584 . . . . 0.0 106.723 -179.885 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 2.002 0 O-C-N 126.038 2.086 . . . . 0.0 116.237 -179.855 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.799 0 CA-C-O 117.961 -1.019 . . . . 0.0 112.589 -178.235 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.485 1.966 0 N-CA-C 107.829 -2.108 . . . . 0.0 107.829 -178.386 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 125.303 2.478 . . . . 0.0 112.68 -177.801 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.246 0.88 0 CA-C-N 110.923 -2.853 . . . . 0.0 110.403 179.239 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -0.993 0 O-C-N 126.355 2.284 . . . . 0.0 105.422 176.613 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.392 0 N-CA-C 117.771 2.508 . . . . 0.0 117.771 -176.529 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 178.806 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 103.853 -2.647 . . . . 0.0 103.853 177.035 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 CA-C-N 112.0 -2.364 . . . . 0.0 108.002 -179.269 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.3 0 N-CA-C 118.524 2.17 . . . . 0.0 118.524 -178.209 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.71 0 O-C-N 121.438 -1.036 . . . . 0.0 112.245 -179.678 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.662 0 O-C-N 123.69 0.619 . . . . 0.0 112.667 -177.227 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.87 0 CA-C-O 124.252 1.977 . . . . 0.0 110.039 -179.775 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.89 0 CA-C-N 113.402 -1.726 . . . . 0.0 108.45 -178.449 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.463 0.448 0 CA-C-N 113.991 -1.459 . . . . 0.0 110.199 179.291 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 124.865 0.98 . . . . 0.0 110.037 179.903 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.247 0.971 0 CA-C-N 114.35 -1.295 . . . . 0.0 109.341 179.305 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.197 0 O-C-N 124.52 1.138 . . . . 0.0 110.217 178.871 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 CA--C 1.501 -0.828 0 N-CA-C 119.017 2.367 . . . . 0.0 119.017 -179.635 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.817 0 O-C-N 120.886 -1.361 . . . . 0.0 109.06 179.484 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 178.695 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.913 0 O-C-N 125.736 1.897 . . . . 0.0 110.204 179.186 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.339 0.59 . . . . 0.0 111.886 -179.185 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 115.707 -2.092 . . . . 0.0 108.787 -177.904 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.899 0 O-C-N 127.251 2.845 . . . . 0.0 110.343 178.718 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 117.671 -1.157 . . . . 0.0 109.605 -179.666 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 O-C-N 128.149 3.405 . . . . 0.0 112.796 -177.679 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.258 0 O-C-N 125.141 1.525 . . . . 0.0 111.74 -178.08 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 123.888 0.875 . . . . 0.0 110.151 178.303 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.958 0 N-CA-C 118.063 2.616 . . . . 0.0 118.063 175.69 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.053 0 C-N-CA 124.118 0.967 . . . . 0.0 109.074 177.568 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 127.387 2.929 . . . . 0.0 111.439 -177.978 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.378 0 C-N-CA 129.977 3.311 . . . . 0.0 108.999 178.305 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.246 0.909 0 O-C-N 126.734 2.521 . . . . 0.0 113.735 -178.114 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 115.276 1.584 . . . . 0.0 115.276 -178.422 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 124.728 1.267 . . . . 0.0 109.957 178.522 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.388 0 C-N-CA 123.998 0.919 . . . . 0.0 109.13 179.066 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.864 0 C-N-CA 123.498 0.719 . . . . 0.0 112.706 -178.455 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-O 117.011 -1.471 . . . . 0.0 111.021 -177.837 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 CA-C-O 116.748 -1.596 . . . . 0.0 110.665 -176.98 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.252 1.193 0 CA-C-N 119.578 1.081 . . . . 0.0 112.801 -178.813 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 124.948 1.299 . . . . 0.0 111.695 -178.467 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 125.028 1.455 . . . . 0.0 108.32 -179.6 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 126.557 2.411 . . . . 0.0 111.592 -178.972 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.249 1.055 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.53 177.564 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.734 0 N-CA-C 114.304 1.224 . . . . 0.0 114.304 -177.756 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 125.69 1.596 . . . . 0.0 111.274 177.37 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.466 0.676 0 O-C-N 121.306 -0.872 . . . . 0.0 114.218 -179.472 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.626 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 179.249 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 119.843 -1.786 . . . . 0.0 109.618 -179.325 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.9 0 N-CA-C 116.368 1.988 . . . . 0.0 116.368 -176.974 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 125.278 1.611 . . . . 0.0 110.329 -176.67 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 112.529 -2.123 . . . . 0.0 108.33 176.071 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 N-CA-C 104.5 -2.407 . . . . 0.0 104.5 178.481 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 125.42 1.7 . . . . 0.0 108.246 -177.663 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.274 0 O-C-N 125.902 2.001 . . . . 0.0 110.968 -175.545 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.474 -2.477 0 O-C-N 126.335 2.755 . . . . 0.0 115.06 -176.53 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.257 1.477 0 O-C-N 120.417 -1.427 . . . . 0.0 113.842 177.702 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.37 0 N-CA-C 115.613 1.709 . . . . 0.0 115.613 -177.007 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--N 1.294 -1.807 0 CA-C-O 115.094 -2.384 . . . . 0.0 112.825 -178.702 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.608 0 CA-C-N 120.889 1.677 . . . . 0.0 114.866 -178.057 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.026 0 C-N-CA 127.023 2.129 . . . . 0.0 111.249 -179.585 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 126.262 2.226 . . . . 0.0 110.462 -179.783 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 125.35 1.46 . . . . 0.0 107.105 177.909 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.756 0 C-N-CA 126.552 1.941 . . . . 0.0 112.591 178.988 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.181 0 CA-C-N 113.225 -1.807 . . . . 0.0 111.388 -177.657 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.309 -1.174 0 C-N-CA 123.831 0.853 . . . . 0.0 113.171 -179.087 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 104.181 -2.525 . . . . 0.0 104.181 177.434 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 104.809 -2.293 . . . . 0.0 104.809 178.668 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 128.513 3.633 . . . . 0.0 116.962 -175.623 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.312 0 N-CA-C 105.331 -3.108 . . . . 0.0 105.331 177.072 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.273 2.342 0 O-C-N 128.527 3.133 . . . . 0.0 106.529 179.739 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.827 0 C-N-CA 118.913 -1.115 . . . . 0.0 112.673 -177.625 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.746 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 177.523 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.244 0.81 0 CA-C-O 122.453 1.12 . . . . 0.0 108.089 176.459 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 121.459 1.439 . . . . 0.0 111.922 -179.721 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 177.01 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 105.357 -2.09 . . . . 0.0 105.357 177.479 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 122.814 1.292 . . . . 0.0 110.134 -176.886 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.184 0 CA-C-N 112.712 -2.04 . . . . 0.0 112.81 -179.694 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.2 0 CA-C-N 118.164 0.982 . . . . 0.0 110.743 179.971 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.954 0 O-C-N 123.493 1.259 . . . . 0.0 111.659 177.329 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 103.183 -2.895 . . . . 0.0 103.183 178.421 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.328 0 O-C-N 126.85 2.594 . . . . 0.0 112.24 -178.51 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.44 -1.647 0 N-CA-C 107.572 -1.742 . . . . 0.0 107.572 -179.843 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.94 0 O-C-N 128.131 3.394 . . . . 0.0 102.991 179.647 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.266 1.971 0 CA-C-O 116.006 -1.95 . . . . 0.0 108.841 -179.617 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.544 1.85 0 N-CA-C 104.085 -3.606 . . . . 0.0 104.085 179.102 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.523 0 CA-C-O 115.672 -2.109 . . . . 0.0 109.482 -177.628 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.74 0 N-CA-C 103.724 -2.695 . . . . 0.0 103.724 -179.988 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.072 0 O-C-N 127.8 3.187 . . . . 0.0 113.523 -178.684 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 -177.183 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.926 0 O-C-N 126.216 2.198 . . . . 0.0 107.647 179.933 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 118.483 -2.775 . . . . 0.0 110.271 -176.926 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.253 1.276 1 O-C-N 114.498 -5.126 . . . . 0.0 100.65 -173.759 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.307 0 CA-C-O 115.216 -2.076 . . . . 0.0 112.126 177.894 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.272 -2.796 0 CA-C-N 120.704 1.593 . . . . 0.0 109.598 177.778 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.428 0 CA-C-N 112.837 -1.983 . . . . 0.0 110.588 178.303 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.313 0 O-C-N 120.946 -1.096 . . . . 0.0 110.42 178.573 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.161 0 O-C-N 125.773 1.92 . . . . 0.0 110.274 -178.354 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.289 -2.029 0 O-C-N 127.02 2.7 . . . . 0.0 107.06 178.97 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.634 0 CA-C-O 122.21 1.005 . . . . 0.0 112.914 177.899 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.44 -0.931 0 O-C-N 117.442 -3.286 . . . . 0.0 114.641 179.653 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.814 0 O-C-N 125.593 1.808 . . . . 0.0 108.136 179.477 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.299 -1.591 1 O-C-N 129.232 4.083 . . . . 0.0 109.763 179.203 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 120.085 -1.634 . . . . 0.0 111.874 179.058 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.53 0 C-N-CA 125.134 1.373 . . . . 0.0 112.752 178.704 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.054 0 C-N-CA 128.042 2.734 . . . . 0.0 114.268 -179.052 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.287 0 C-N-CA 128.264 2.626 . . . . 0.0 111.526 -179.512 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 C-N-CA 117.591 -1.644 . . . . 0.0 107.417 179.664 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.289 -2.06 0 CA-C-O 117.268 -1.348 . . . . 0.0 109.052 -179.619 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 N--CA 1.49 1.317 0 C-N-CA 122.833 2.356 . . . . 0.0 111.79 177.391 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 332' ' ' ASN . . . . . . . . . . . . . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.249 1.045 0 O-C-N 118.648 -2.533 . . . . 0.0 115.672 -179.553 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.061 0 C-N-CA 126.611 1.964 . . . . 0.0 110.89 -179.504 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.953 0 C-N-CA 123.461 2.774 . . . . 0.0 115.481 179.107 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-N 121.31 1.868 . . . . 0.0 113.461 178.029 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.803 0 C-N-CA 124.974 1.31 . . . . 0.0 108.061 179.98 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.827 0 C-N-CA 119.017 -1.073 . . . . 0.0 109.781 179.087 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.608 -0.683 . . . . 0.0 109.285 179.071 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 114.235 -1.348 . . . . 0.0 109.729 179.865 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.305 0 CA-C-N 119.589 1.086 . . . . 0.0 111.947 -177.941 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-O 117.091 -1.433 . . . . 0.0 111.852 -178.035 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.297 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -178.955 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.478 0 CA-C-N 114.534 -1.212 . . . . 0.0 109.151 179.772 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-O 124.911 2.291 . . . . 0.0 109.422 178.319 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.497 -1.065 0 CA-C-N 112.742 -2.026 . . . . 0.0 111.314 178.757 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-N 121.141 1.791 . . . . 0.0 112.712 179.859 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.294 0 CA-C-O 118.436 -0.792 . . . . 0.0 112.269 -176.267 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 O-C-N 124.077 0.86 . . . . 0.0 109.108 -179.302 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-O 115.227 -2.32 . . . . 0.0 110.856 -178.097 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.231 0 O-C-N 127.549 3.03 . . . . 0.0 111.066 178.971 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.792 0 C-N-CA 127.406 2.282 . . . . 0.0 113.771 -177.121 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 125.933 2.02 . . . . 0.0 112.185 -179.875 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.346 0 CA-C-N 121.295 1.861 . . . . 0.0 114.826 179.861 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.566 0 C-N-CA 124.785 1.234 . . . . 0.0 111.457 179.555 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 178.922 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 178.288 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.944 0 O-C-N 124.798 1.311 . . . . 0.0 110.059 -178.657 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-N 113.631 -1.622 . . . . 0.0 111.066 178.318 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 127.129 2.171 . . . . 0.0 112.534 -178.604 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 113.727 -1.579 . . . . 0.0 111.989 179.754 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-O 116.748 -1.596 . . . . 0.0 111.661 -178.292 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 126.527 2.392 . . . . 0.0 107.537 178.937 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.437 -1.076 0 C-N-CA 126.445 1.898 . . . . 0.0 113.127 179.245 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.574 -179.163 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.308 -1.212 0 O-C-N 124.43 1.081 . . . . 0.0 108.2 178.152 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 116.574 -1.679 . . . . 0.0 112.101 179.016 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.519 0 N-CA-C 115.897 1.814 . . . . 0.0 115.897 -179.707 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 O-C-N 124.463 1.102 . . . . 0.0 111.134 -177.92 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.111 0 O-C-N 125.409 1.693 . . . . 0.0 111.347 -178.635 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.075 0 C-N-CA 127.279 2.232 . . . . 0.0 107.445 179.088 . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 500' ' ' MXT . . . . . 1.044 H121 ' H ' ' A' ' 42' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 600' ' ' MXT . . . . . 0.846 H232 ' O11' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.312 0 O-C-N 125.664 1.852 . . . . 0.0 106.857 171.856 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.781 1 O-C-N 129.263 4.296 . . . . 0.0 107.961 -177.06 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.929 0 CA-C-N 120.99 1.723 . . . . 0.0 112.671 -178.351 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.201 0 CA-C-N 114.227 -1.351 . . . . 0.0 110.935 -178.594 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.198 0 C-N-CA 127.006 2.122 . . . . 0.0 110.231 -177.965 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.491 0 O-C-N 120.923 -1.111 . . . . 0.0 109.823 179.748 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.579 0 N-CA-C 105.946 -1.872 . . . . 0.0 105.946 -177.68 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 127.142 2.776 . . . . 0.0 107.803 179.14 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.782 0 CA-C-O 115.424 -2.227 . . . . 0.0 106.476 178.017 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.511 2.584 1 O-C-N 130.714 5.009 . . . . 0.0 106.295 177.622 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.165 0 CA-C-O 113.784 -3.007 . . . . 0.0 105.844 -179.817 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-N 121.124 1.784 . . . . 0.0 110.024 -177.773 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 125.915 2.009 . . . . 0.0 105.765 -176.596 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.367 0 O-C-N 127.491 2.994 . . . . 0.0 112.773 -176.381 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.957 0 O-C-N 127.247 2.842 . . . . 0.0 112.247 177.675 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.314 -0.948 0 O-C-N 119.07 -2.269 . . . . 0.0 111.915 -179.689 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.331 -0.198 0 O-C-N 126.64 2.463 . . . . 0.0 109.692 -174.918 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.325 -0.698 0 C-N-CA 124.665 3.577 . . . . 0.0 111.962 179.677 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.873 0 CA-C-N 111.709 -2.496 . . . . 0.0 106.741 179.169 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.267 0 O-C-N 127.517 3.377 . . . . 0.0 107.892 178.969 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.501 0 C-N-CA 121.829 1.686 . . . . 0.0 108.32 178.863 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.6 0 O-C-N 127.072 2.733 . . . . 0.0 112.113 179.982 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.999 0 C-N-CA 126.753 2.021 . . . . 0.0 114.893 -174.418 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.692 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 175.019 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 124.915 1.384 . . . . 0.0 113.651 -175.844 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.418 0 CA-C-O 117.383 -1.294 . . . . 0.0 112.761 -179.375 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.253 1.271 0 CA-C-N 121.727 2.058 . . . . 0.0 114.968 179.615 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.311 -1.445 0 C-N-CA 122.127 1.885 . . . . 0.0 113.305 178.089 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.292 -1.903 0 C-N-CA 129.81 3.244 . . . . 0.0 112.287 178.907 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.044 0 O-C-N 119.406 -2.059 . . . . 0.0 109.548 177.921 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.33 0 CA-C-O 115.578 -2.154 . . . . 0.0 109.207 179.738 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 127.36 2.913 . . . . 0.0 109.4 179.603 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.253 1.244 0 O-C-N 120.269 -1.519 . . . . 0.0 112.893 177.156 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 122.044 0.926 . . . . 0.0 113.384 179.002 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.262 0 C-N-CA 126.454 1.902 . . . . 0.0 109.233 179.751 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 125.094 1.496 . . . . 0.0 110.225 175.907 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.153 0 C-N-CA 127.098 2.159 . . . . 0.0 114.592 178.831 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 1.995 0 CA-C-O 117.074 -1.959 . . . . 0.0 112.366 178.48 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-N 118.122 0.961 . . . . 0.0 108.51 179.301 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 176.042 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.248 0.979 0 C-N-CA 123.92 0.888 . . . . 0.0 112.843 -179.471 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.465 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 -175.562 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.102 0 C-N-CA 125.086 1.354 . . . . 0.0 108.13 175.105 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 177.301 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.21 -0.982 0 CA-C-N 114.31 -1.314 . . . . 0.0 110.107 -179.942 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-O 115.952 -1.975 . . . . 0.0 112.308 178.808 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.559 0 N-CA-C 116.594 2.072 . . . . 0.0 116.594 -174.906 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.603 0 CA-C-O 122.734 1.254 . . . . 0.0 112.342 -178.95 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 122.392 2.061 . . . . 0.0 115.12 -179.562 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 107.435 -1.321 . . . . 0.0 107.435 177.671 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.255 1.394 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 178.348 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.497 -1.094 0 O-C-N 118.315 -2.74 . . . . 0.0 114.61 -179.039 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.294 0 N-CA-C 115.955 1.835 . . . . 0.0 115.955 179.686 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.046 0 CA-C-N 120.284 1.137 . . . . 0.0 114.862 -179.587 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.252 1.021 . . . . 0.0 112.018 179.856 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 O-C-N 125.04 1.463 . . . . 0.0 111.493 -179.74 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.341 0 N-CA-C 116.878 2.177 . . . . 0.0 116.878 179.146 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 127.699 2.4 . . . . 0.0 115.557 -178.059 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.868 0 N-CA-C 117.158 2.281 . . . . 0.0 117.158 -178.573 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.079 0 CA-C-O 115.691 -2.727 . . . . 0.0 118.871 177.651 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.949 0 CA-C-N 124.168 3.984 . . . . 0.0 111.369 179.725 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-O 115.638 -2.125 . . . . 0.0 106.272 177.491 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.505 0 O-C-N 125.462 1.726 . . . . 0.0 107.645 -178.974 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.477 0 O-C-N 125.774 1.921 . . . . 0.0 111.515 -179.677 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-O 122.111 0.958 . . . . 0.0 110.699 179.486 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.036 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 -179.899 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 2.007 0 O-C-N 125.998 2.061 . . . . 0.0 116.184 -179.797 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.805 0 CA-C-O 117.912 -1.042 . . . . 0.0 112.602 -178.227 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.485 1.923 0 N-CA-C 107.858 -2.097 . . . . 0.0 107.858 -178.387 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 125.325 2.488 . . . . 0.0 112.699 -177.843 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.836 0 CA-C-N 110.907 -2.861 . . . . 0.0 110.399 179.193 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 126.414 2.321 . . . . 0.0 105.409 176.601 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.406 0 N-CA-C 117.81 2.522 . . . . 0.0 117.81 -176.571 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 178.81 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 103.816 -2.661 . . . . 0.0 103.816 177.051 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 CA-C-N 111.941 -2.391 . . . . 0.0 108.048 -179.359 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.254 1.366 0 N-CA-C 118.56 2.184 . . . . 0.0 118.56 -178.218 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.672 0 O-C-N 121.449 -1.03 . . . . 0.0 112.207 -179.611 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.654 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -177.194 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.847 0 CA-C-O 124.257 1.98 . . . . 0.0 110.039 -179.793 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.909 0 CA-C-N 113.398 -1.728 . . . . 0.0 108.409 -178.394 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 C--N 1.318 -0.45 0 CA-C-N 114.066 -1.425 . . . . 0.0 110.173 179.285 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 124.802 0.943 . . . . 0.0 110.049 179.917 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 1.017 0 CA-C-N 114.361 -1.29 . . . . 0.0 109.334 179.288 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.484 1.231 0 O-C-N 124.542 1.151 . . . . 0.0 110.172 178.91 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 CA--C 1.501 -0.831 0 N-CA-C 119.071 2.389 . . . . 0.0 119.071 -179.65 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.214 -0.796 0 O-C-N 120.803 -1.41 . . . . 0.0 109.077 179.505 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 178.634 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.266 1.941 0 O-C-N 125.712 1.883 . . . . 0.0 110.225 179.156 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.312 0.577 . . . . 0.0 111.878 -179.166 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 115.725 -2.083 . . . . 0.0 108.816 -177.896 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.909 0 O-C-N 127.249 2.843 . . . . 0.0 110.351 178.685 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 117.695 -1.145 . . . . 0.0 109.582 -179.697 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 O-C-N 128.106 3.379 . . . . 0.0 112.825 -177.703 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.256 0 O-C-N 125.076 1.485 . . . . 0.0 111.747 -178.073 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 123.865 0.866 . . . . 0.0 110.238 178.222 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.292 -1.93 0 N-CA-C 118.056 2.613 . . . . 0.0 118.056 175.738 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.051 0 C-N-CA 124.127 0.971 . . . . 0.0 109.123 177.487 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 127.428 2.955 . . . . 0.0 111.386 -177.913 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.403 0 C-N-CA 130.014 3.326 . . . . 0.0 109.024 178.274 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.968 0 O-C-N 126.779 2.549 . . . . 0.0 113.79 -178.139 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 115.293 1.59 . . . . 0.0 115.293 -178.456 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 124.73 1.268 . . . . 0.0 109.945 178.556 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 123.997 0.919 . . . . 0.0 109.168 179.035 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 123.445 0.698 . . . . 0.0 112.745 -178.529 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-O 116.976 -1.487 . . . . 0.0 110.971 -177.819 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.678 0 CA-C-O 116.727 -1.606 . . . . 0.0 110.676 -176.954 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.252 1.19 0 CA-C-N 119.595 1.089 . . . . 0.0 112.832 -178.843 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 124.976 1.31 . . . . 0.0 111.685 -178.51 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 125.054 1.471 . . . . 0.0 108.314 -179.609 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 126.542 2.401 . . . . 0.0 111.633 -178.965 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.009 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.499 177.546 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.728 0 N-CA-C 114.306 1.225 . . . . 0.0 114.306 -177.726 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.536 0 C-N-CA 125.663 1.585 . . . . 0.0 111.22 177.409 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.466 0.677 0 O-C-N 121.338 -0.851 . . . . 0.0 114.307 -179.384 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 179.229 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 119.842 -1.786 . . . . 0.0 109.698 -179.406 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 116.391 1.997 . . . . 0.0 116.391 -176.951 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 125.316 1.635 . . . . 0.0 110.297 -176.701 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 112.522 -2.126 . . . . 0.0 108.334 175.97 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 N-CA-C 104.495 -2.409 . . . . 0.0 104.495 178.481 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 125.466 1.729 . . . . 0.0 108.327 -177.686 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.298 0 O-C-N 125.87 1.981 . . . . 0.0 110.995 -175.558 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.468 0 O-C-N 126.288 2.731 . . . . 0.0 115.066 -176.535 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.542 0 O-C-N 120.395 -1.441 . . . . 0.0 113.751 177.721 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.374 0 N-CA-C 115.621 1.712 . . . . 0.0 115.621 -176.967 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.264 1.822 0 CA-C-O 115.14 -2.362 . . . . 0.0 112.847 -178.702 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.64 0 CA-C-N 120.881 1.673 . . . . 0.0 114.836 -178.025 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.054 0 C-N-CA 126.98 2.112 . . . . 0.0 111.226 -179.579 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 O-C-N 126.227 2.205 . . . . 0.0 110.44 -179.716 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 125.344 1.457 . . . . 0.0 107.096 177.868 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.737 0 C-N-CA 126.567 1.947 . . . . 0.0 112.591 179.03 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.181 0 CA-C-N 113.191 -1.822 . . . . 0.0 111.41 -177.659 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.142 0 C-N-CA 123.806 0.842 . . . . 0.0 113.135 -179.14 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 104.136 -2.542 . . . . 0.0 104.136 177.444 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 104.846 -2.279 . . . . 0.0 104.846 178.602 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 128.537 3.648 . . . . 0.0 116.964 -175.611 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.305 0 N-CA-C 105.349 -3.1 . . . . 0.0 105.349 177.009 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.367 0 O-C-N 128.53 3.135 . . . . 0.0 106.552 179.762 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.244 0.796 0 C-N-CA 118.973 -1.091 . . . . 0.0 112.692 -177.554 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.717 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 177.528 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.244 0.794 0 CA-C-O 122.447 1.118 . . . . 0.0 108.067 176.432 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.297 0 C-N-CA 121.494 1.463 . . . . 0.0 111.873 -179.766 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 176.992 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 105.297 -2.112 . . . . 0.0 105.297 177.487 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 122.784 1.278 . . . . 0.0 110.103 -176.979 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.25 1.133 0 CA-C-N 112.668 -2.06 . . . . 0.0 112.792 179.947 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.207 0 CA-C-N 118.198 0.999 . . . . 0.0 110.741 179.827 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.938 0 O-C-N 123.45 1.237 . . . . 0.0 111.671 176.876 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.054 0 N-CA-C 103.176 -2.898 . . . . 0.0 103.176 178.384 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.327 0 O-C-N 126.864 2.602 . . . . 0.0 112.249 -178.589 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.691 0 N-CA-C 107.607 -1.728 . . . . 0.0 107.607 179.697 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.947 0 O-C-N 128.081 3.363 . . . . 0.0 103.019 -179.573 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.266 1.958 0 CA-C-O 116.0 -1.952 . . . . 0.0 108.808 -178.948 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.837 0 N-CA-C 104.099 -3.6 . . . . 0.0 104.099 179.362 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.513 0 CA-C-O 115.69 -2.1 . . . . 0.0 109.458 -178.137 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.739 0 N-CA-C 103.665 -2.717 . . . . 0.0 103.665 -179.381 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.079 0 O-C-N 127.733 3.146 . . . . 0.0 113.532 -177.238 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 106.34 -1.726 . . . . 0.0 106.34 -178.5 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.501 3.019 0 O-C-N 126.286 2.241 . . . . 0.0 107.588 -179.042 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.305 -2.291 . . . . 0.0 110.271 -176.927 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--N 1.301 -1.526 1 O-C-N 116.144 -4.097 . . . . 0.0 100.622 -178.307 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.445 -1.331 0 CA-C-O 115.267 -2.056 . . . . 0.0 112.122 -178.812 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.272 -2.785 0 CA-C-N 120.741 1.61 . . . . 0.0 109.597 177.792 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.404 0 CA-C-N 112.822 -1.99 . . . . 0.0 110.582 178.313 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.296 0 O-C-N 120.92 -1.112 . . . . 0.0 110.4 178.578 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.155 0 O-C-N 125.83 1.956 . . . . 0.0 110.283 -178.345 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.076 0 O-C-N 127.014 2.696 . . . . 0.0 107.077 178.92 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.611 0 CA-C-O 122.273 1.035 . . . . 0.0 112.92 177.92 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.916 0 O-C-N 117.417 -3.302 . . . . 0.0 114.578 179.673 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.807 0 O-C-N 125.626 1.829 . . . . 0.0 108.138 179.523 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.579 1 O-C-N 129.222 4.076 . . . . 0.0 109.762 179.202 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 120.073 -1.642 . . . . 0.0 111.853 179.07 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 125.101 1.36 . . . . 0.0 112.774 178.7 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.054 0 C-N-CA 128.012 2.72 . . . . 0.0 114.318 -178.725 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.273 2.293 0 C-N-CA 128.292 2.637 . . . . 0.0 111.515 -178.882 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 C-N-CA 117.603 -1.639 . . . . 0.0 107.352 179.962 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.076 0 CA-C-O 117.28 -1.343 . . . . 0.0 109.065 179.906 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.314 -1.289 0 C-N-CA 122.878 2.385 . . . . 0.0 111.73 179.119 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 332' ' ' ASN . . . . . . . . . . . . . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 0.974 0 O-C-N 118.621 -2.549 . . . . 0.0 115.757 -178.614 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.049 0 C-N-CA 126.608 1.963 . . . . 0.0 110.949 177.831 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.943 0 C-N-CA 123.432 2.755 . . . . 0.0 115.528 179.504 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 121.245 1.839 . . . . 0.0 113.454 177.993 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 124.956 1.303 . . . . 0.0 107.992 -179.955 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.818 0 C-N-CA 119.069 -1.052 . . . . 0.0 109.763 179.107 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.61 -0.681 . . . . 0.0 109.314 179.057 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 114.222 -1.354 . . . . 0.0 109.728 179.818 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-N 119.589 1.086 . . . . 0.0 111.924 -177.92 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-O 117.076 -1.44 . . . . 0.0 111.829 -178.011 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 -178.921 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.468 0 CA-C-N 114.569 -1.196 . . . . 0.0 109.152 179.743 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-O 124.865 2.269 . . . . 0.0 109.407 178.375 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.038 0 CA-C-N 112.758 -2.019 . . . . 0.0 111.307 178.786 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.731 0 CA-C-N 121.124 1.784 . . . . 0.0 112.796 179.815 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.253 1.278 0 CA-C-O 118.48 -0.771 . . . . 0.0 112.264 -176.307 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 O-C-N 124.036 0.835 . . . . 0.0 109.134 -179.327 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-O 115.252 -2.309 . . . . 0.0 110.874 -178.114 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.198 0 O-C-N 127.526 3.016 . . . . 0.0 111.061 178.981 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.789 0 C-N-CA 127.378 2.271 . . . . 0.0 113.818 -177.204 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 125.94 2.025 . . . . 0.0 112.233 -179.941 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.255 1.412 0 CA-C-N 121.299 1.863 . . . . 0.0 114.785 179.822 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.596 0 C-N-CA 124.801 1.24 . . . . 0.0 111.454 179.522 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 178.946 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 178.205 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 O-C-N 124.848 1.343 . . . . 0.0 110.021 -178.69 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 113.633 -1.621 . . . . 0.0 111.01 178.37 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.532 0 C-N-CA 127.144 2.177 . . . . 0.0 112.512 -178.503 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 113.71 -1.586 . . . . 0.0 111.969 179.774 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.678 0 CA-C-O 116.788 -1.577 . . . . 0.0 111.692 -178.3 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 126.489 2.368 . . . . 0.0 107.559 178.898 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.437 -1.079 0 C-N-CA 126.383 1.873 . . . . 0.0 113.182 179.229 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.647 -179.226 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-O 122.345 1.069 . . . . 0.0 108.244 178.059 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-O 116.58 -1.676 . . . . 0.0 112.103 179.084 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.257 1.483 0 N-CA-C 115.905 1.817 . . . . 0.0 115.905 -179.741 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 O-C-N 124.465 1.103 . . . . 0.0 111.08 -177.907 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.11 0 O-C-N 125.403 1.69 . . . . 0.0 111.319 -178.612 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.076 0 C-N-CA 127.24 2.216 . . . . 0.0 107.446 179.102 . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 500' ' ' MXT . . . . . 0.767 ' O11' H232 ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 600' ' ' MXT . . . . . 0.587 ' O12' H232 ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.923 ' O ' ' O11' ' A' ' 500' ' ' MXT . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 1.203 ' CA ' H121 ' A' ' 500' ' ' MXT . 15.2 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.737 ' H ' H122 ' A' ' 500' ' ' MXT . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.307 0 O-C-N 125.664 1.852 . . . . 0.0 106.884 168.262 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.704 1 O-C-N 129.179 4.252 . . . . 0.0 107.978 -174.983 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.905 0 CA-C-N 120.992 1.723 . . . . 0.0 112.581 -177.998 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.502 2.152 0 CA-C-N 114.264 -1.334 . . . . 0.0 110.942 -177.735 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.183 0 C-N-CA 127.013 2.125 . . . . 0.0 110.216 -177.207 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.256 1.433 0 O-C-N 120.906 -1.121 . . . . 0.0 109.855 179.932 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.26 1.627 0 N-CA-C 105.973 -1.862 . . . . 0.0 105.973 -176.783 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 127.094 2.746 . . . . 0.0 107.806 179.318 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.572 1.805 0 CA-C-O 115.433 -2.222 . . . . 0.0 106.411 178.81 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.533 1 O-C-N 130.709 5.005 . . . . 0.0 106.34 177.08 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.153 0 CA-C-O 113.715 -3.04 . . . . 0.0 105.85 -179.808 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-N 121.165 1.802 . . . . 0.0 110.036 -177.806 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.294 -1.817 0 O-C-N 125.877 1.985 . . . . 0.0 105.792 -176.592 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.254 1.339 0 O-C-N 127.487 2.992 . . . . 0.0 112.786 -176.377 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.965 0 O-C-N 127.206 2.817 . . . . 0.0 112.231 177.671 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 122.167 2.258 . . . . 0.0 111.921 -179.653 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.331 -0.206 0 O-C-N 126.652 2.47 . . . . 0.0 109.697 -174.885 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.711 0 C-N-CA 124.696 3.598 . . . . 0.0 111.909 179.744 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.861 0 CA-C-N 111.697 -2.501 . . . . 0.0 106.731 179.188 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.286 0 O-C-N 127.485 3.361 . . . . 0.0 107.912 178.945 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.507 0 C-N-CA 121.841 1.694 . . . . 0.0 108.339 178.872 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.615 0 O-C-N 127.046 2.716 . . . . 0.0 112.228 179.895 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.986 0 C-N-CA 126.724 2.01 . . . . 0.0 114.901 -174.447 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.682 0 N-CA-C 107.753 -1.202 . . . . 0.0 107.753 174.991 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.314 0 O-C-N 124.849 1.343 . . . . 0.0 113.643 -175.793 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.432 0 CA-C-O 117.363 -1.303 . . . . 0.0 112.755 -179.393 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.324 0 CA-C-N 121.754 2.07 . . . . 0.0 114.953 179.595 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.458 0 C-N-CA 122.15 1.9 . . . . 0.0 113.321 178.092 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.885 0 C-N-CA 129.812 3.245 . . . . 0.0 112.272 178.886 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.051 0 O-C-N 119.362 -2.086 . . . . 0.0 109.516 177.983 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.333 0 CA-C-O 115.615 -2.136 . . . . 0.0 109.255 179.721 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 127.374 2.921 . . . . 0.0 109.393 179.603 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.228 0 O-C-N 120.261 -1.524 . . . . 0.0 112.874 177.156 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-O 122.004 0.907 . . . . 0.0 113.294 179.078 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.276 0 C-N-CA 126.513 1.925 . . . . 0.0 109.256 179.737 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.776 0 O-C-N 125.115 1.509 . . . . 0.0 110.25 175.831 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.155 0 C-N-CA 127.111 2.164 . . . . 0.0 114.592 178.854 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.011 0 CA-C-O 117.109 -1.939 . . . . 0.0 112.372 178.478 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-N 118.11 0.955 . . . . 0.0 108.512 179.234 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 176.049 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.248 0.981 0 C-N-CA 123.94 0.896 . . . . 0.0 112.869 -179.543 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.256 1.424 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 -175.534 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.083 0 C-N-CA 125.024 1.33 . . . . 0.0 108.079 175.11 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 177.31 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.95 0 CA-C-N 114.326 -1.306 . . . . 0.0 110.081 -179.929 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-O 116.029 -1.939 . . . . 0.0 112.337 178.827 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.278 -2.529 0 N-CA-C 116.555 2.058 . . . . 0.0 116.555 -174.876 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.597 0 CA-C-O 122.79 1.281 . . . . 0.0 112.28 -178.936 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 122.395 2.063 . . . . 0.0 115.134 -179.568 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 177.638 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.416 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 178.352 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.497 -1.076 0 O-C-N 118.365 -2.709 . . . . 0.0 114.576 -179.007 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.299 0 N-CA-C 115.953 1.834 . . . . 0.0 115.953 179.728 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.067 0 CA-C-N 120.264 1.13 . . . . 0.0 114.915 -179.664 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.321 1.049 . . . . 0.0 112.007 179.869 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 O-C-N 125.107 1.504 . . . . 0.0 111.445 -179.682 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.301 0 N-CA-C 116.908 2.188 . . . . 0.0 116.908 179.134 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 127.571 2.348 . . . . 0.0 115.594 -178.036 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.856 0 N-CA-C 117.12 2.267 . . . . 0.0 117.12 -178.548 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.069 0 CA-C-O 115.688 -2.729 . . . . 0.0 118.86 177.661 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.95 0 CA-C-N 124.165 3.983 . . . . 0.0 111.368 179.719 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-O 115.657 -2.116 . . . . 0.0 106.257 177.519 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.302 -1.494 0 O-C-N 125.482 1.738 . . . . 0.0 107.641 -178.986 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.484 0 O-C-N 125.8 1.938 . . . . 0.0 111.477 -179.671 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-O 122.098 0.951 . . . . 0.0 110.747 179.373 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.067 0 N-CA-C 106.762 -1.57 . . . . 0.0 106.762 -179.898 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 2.005 0 O-C-N 125.98 2.05 . . . . 0.0 116.214 -179.838 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.792 0 CA-C-O 117.921 -1.037 . . . . 0.0 112.606 -178.246 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 1.986 0 N-CA-C 107.823 -2.111 . . . . 0.0 107.823 -178.403 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 125.325 2.488 . . . . 0.0 112.666 -177.809 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.244 0.814 0 CA-C-N 110.898 -2.864 . . . . 0.0 110.406 179.197 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -0.984 0 O-C-N 126.347 2.279 . . . . 0.0 105.421 176.641 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.386 0 N-CA-C 117.763 2.505 . . . . 0.0 117.763 -176.52 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.776 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 103.866 -2.642 . . . . 0.0 103.866 177.033 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 CA-C-N 112.028 -2.351 . . . . 0.0 108.043 -179.318 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.304 0 N-CA-C 118.536 2.174 . . . . 0.0 118.536 -178.26 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 O-C-N 121.427 -1.043 . . . . 0.0 112.184 -179.652 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.661 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -177.132 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.862 0 CA-C-O 124.216 1.96 . . . . 0.0 110.043 -179.767 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.916 0 CA-C-N 113.418 -1.719 . . . . 0.0 108.435 -178.446 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 C--N 1.318 -0.468 0 CA-C-N 114.054 -1.43 . . . . 0.0 110.2 179.233 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 124.771 0.924 . . . . 0.0 110.004 179.944 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.249 1.03 0 CA-C-N 114.387 -1.278 . . . . 0.0 109.355 179.292 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.201 0 O-C-N 124.499 1.124 . . . . 0.0 110.201 178.86 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.846 0 N-CA-C 119.069 2.388 . . . . 0.0 119.069 -179.624 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.851 0 O-C-N 120.906 -1.349 . . . . 0.0 109.095 179.459 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 107.086 -1.45 . . . . 0.0 107.086 178.637 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.869 0 O-C-N 125.677 1.86 . . . . 0.0 110.271 179.153 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.306 0.574 . . . . 0.0 111.877 -179.195 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 115.727 -2.082 . . . . 0.0 108.785 -177.877 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.293 -1.884 0 O-C-N 127.264 2.853 . . . . 0.0 110.386 178.69 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 117.671 -1.157 . . . . 0.0 109.584 -179.703 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 O-C-N 128.123 3.39 . . . . 0.0 112.827 -177.731 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.252 1.219 0 O-C-N 125.151 1.532 . . . . 0.0 111.751 -178.042 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 123.875 0.87 . . . . 0.0 110.183 178.28 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.292 -1.893 0 N-CA-C 118.078 2.622 . . . . 0.0 118.078 175.675 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.035 0 C-N-CA 124.067 0.947 . . . . 0.0 109.05 177.521 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 127.433 2.958 . . . . 0.0 111.38 -177.966 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.388 0 C-N-CA 129.945 3.298 . . . . 0.0 108.987 178.311 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.954 0 O-C-N 126.8 2.562 . . . . 0.0 113.732 -178.113 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 115.306 1.595 . . . . 0.0 115.306 -178.436 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 124.711 1.257 . . . . 0.0 109.97 178.528 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.303 -1.433 0 C-N-CA 124.015 0.926 . . . . 0.0 109.18 179.048 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.879 0 C-N-CA 123.452 0.701 . . . . 0.0 112.71 -178.429 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-O 116.965 -1.493 . . . . 0.0 111.003 -177.832 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.665 0 CA-C-O 116.751 -1.595 . . . . 0.0 110.705 -176.982 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.162 0 CA-C-N 119.599 1.09 . . . . 0.0 112.863 -178.935 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 124.959 1.304 . . . . 0.0 111.709 -178.473 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 125.065 1.478 . . . . 0.0 108.283 -179.577 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 126.612 2.445 . . . . 0.0 111.612 -178.935 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.003 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.513 177.566 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 114.269 1.211 . . . . 0.0 114.269 -177.744 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 125.678 1.591 . . . . 0.0 111.251 177.393 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 C--O 1.243 0.671 0 O-C-N 121.307 -0.871 . . . . 0.0 114.252 -179.431 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.602 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 179.252 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 119.832 -1.792 . . . . 0.0 109.665 -179.364 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.919 0 N-CA-C 116.32 1.97 . . . . 0.0 116.32 -176.937 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 125.247 1.592 . . . . 0.0 110.289 -176.62 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 112.567 -2.106 . . . . 0.0 108.254 176.053 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 N-CA-C 104.493 -2.41 . . . . 0.0 104.493 178.491 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 125.425 1.703 . . . . 0.0 108.291 -177.663 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.278 0 O-C-N 125.905 2.003 . . . . 0.0 110.947 -175.562 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.474 -2.482 0 O-C-N 126.233 2.701 . . . . 0.0 115.048 -176.502 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.543 0 O-C-N 120.389 -1.445 . . . . 0.0 113.833 177.681 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.256 1.402 0 N-CA-C 115.633 1.716 . . . . 0.0 115.633 -177.024 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.263 1.805 0 CA-C-O 115.047 -2.406 . . . . 0.0 112.756 -178.707 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.628 0 CA-C-N 120.947 1.703 . . . . 0.0 114.812 -177.995 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.048 0 C-N-CA 127.023 2.129 . . . . 0.0 111.188 -179.504 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 O-C-N 126.307 2.255 . . . . 0.0 110.473 -179.746 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 125.341 1.457 . . . . 0.0 107.075 177.884 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.261 1.71 0 C-N-CA 126.557 1.943 . . . . 0.0 112.611 179.031 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.176 0 CA-C-N 113.18 -1.827 . . . . 0.0 111.468 -177.729 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.132 0 C-N-CA 123.825 0.85 . . . . 0.0 113.207 -179.076 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 104.168 -2.531 . . . . 0.0 104.168 177.464 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 104.834 -2.284 . . . . 0.0 104.834 178.664 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 128.468 3.605 . . . . 0.0 117.02 -175.627 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.582 4.275 0 N-CA-C 105.331 -3.107 . . . . 0.0 105.331 177.073 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.273 2.303 0 O-C-N 128.424 3.073 . . . . 0.0 106.548 179.737 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.83 0 C-N-CA 118.937 -1.105 . . . . 0.0 112.739 -177.639 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.769 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 177.541 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.244 0.794 0 CA-C-O 122.508 1.147 . . . . 0.0 108.032 176.431 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.294 0 C-N-CA 121.491 1.461 . . . . 0.0 111.908 -179.766 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 177.005 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 105.383 -2.08 . . . . 0.0 105.383 177.463 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 122.778 1.275 . . . . 0.0 110.072 -176.924 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.165 0 CA-C-N 112.663 -2.062 . . . . 0.0 112.76 179.465 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.237 0 CA-C-N 118.173 0.987 . . . . 0.0 110.756 179.581 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.918 0 O-C-N 123.485 1.255 . . . . 0.0 111.657 177.498 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.553 1.066 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 178.661 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.306 -1.326 0 O-C-N 126.882 2.614 . . . . 0.0 112.217 -178.778 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.725 0 N-CA-C 107.57 -1.742 . . . . 0.0 107.57 179.996 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.963 0 O-C-N 128.116 3.385 . . . . 0.0 103.031 -179.57 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.991 0 CA-C-O 115.988 -1.958 . . . . 0.0 108.826 179.726 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 C--N 1.293 -1.824 0 N-CA-C 104.11 -3.596 . . . . 0.0 104.11 -179.217 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.257 1.495 0 CA-C-O 115.643 -2.123 . . . . 0.0 109.48 -177.76 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.718 0 N-CA-C 103.685 -2.709 . . . . 0.0 103.685 -179.76 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.062 0 O-C-N 127.761 3.163 . . . . 0.0 113.502 -178.05 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 -177.901 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.951 0 O-C-N 126.288 2.243 . . . . 0.0 107.62 -179.286 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.137 -2.39 . . . . 0.0 110.271 -177.194 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.253 1.282 0 O-C-N 116.331 -3.981 . . . . 0.0 100.584 -179.248 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.266 0 CA-C-O 115.261 -2.058 . . . . 0.0 112.142 179.845 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.272 -2.775 0 CA-C-N 120.687 1.585 . . . . 0.0 109.564 177.802 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.274 2.382 0 CA-C-N 112.795 -2.002 . . . . 0.0 110.576 178.34 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.434 -1.271 0 O-C-N 120.967 -1.083 . . . . 0.0 110.388 178.595 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.556 1.183 0 O-C-N 125.801 1.938 . . . . 0.0 110.237 -178.302 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.072 0 O-C-N 127.059 2.724 . . . . 0.0 107.035 178.986 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.616 0 CA-C-O 122.183 0.992 . . . . 0.0 112.888 177.889 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.881 0 O-C-N 117.462 -3.274 . . . . 0.0 114.578 179.686 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.571 1.786 0 O-C-N 125.584 1.802 . . . . 0.0 108.17 179.508 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.572 1 O-C-N 129.225 4.078 . . . . 0.0 109.775 179.152 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 120.078 -1.639 . . . . 0.0 111.828 179.097 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 125.126 1.371 . . . . 0.0 112.763 178.723 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.29 -2.024 0 C-N-CA 128.027 2.727 . . . . 0.0 114.324 -178.365 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.274 0 C-N-CA 128.237 2.615 . . . . 0.0 111.527 -179.42 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 C-N-CA 117.582 -1.647 . . . . 0.0 107.41 179.661 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.287 -2.131 0 CA-C-O 117.24 -1.362 . . . . 0.0 108.986 179.886 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.34 0 C-N-CA 122.866 2.377 . . . . 0.0 111.742 179.118 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 332' ' ' ASN . . . . . . . . . . . . . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.249 1.036 0 O-C-N 118.644 -2.535 . . . . 0.0 115.666 -177.476 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.311 -1.071 0 C-N-CA 126.637 1.975 . . . . 0.0 110.932 -177.55 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.506 -0.896 0 C-N-CA 123.445 2.764 . . . . 0.0 115.448 175.994 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.706 0 CA-C-N 121.315 1.871 . . . . 0.0 113.412 178.034 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 124.976 1.31 . . . . 0.0 107.987 -179.95 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.822 0 C-N-CA 119.054 -1.059 . . . . 0.0 109.794 179.078 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.633 -0.667 . . . . 0.0 109.341 179.084 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 114.218 -1.356 . . . . 0.0 109.73 179.841 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 119.576 1.08 . . . . 0.0 111.977 -177.972 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-O 117.09 -1.433 . . . . 0.0 111.86 -178.009 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 115.019 1.489 . . . . 0.0 115.019 -178.951 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.256 1.447 0 CA-C-N 114.587 -1.188 . . . . 0.0 109.173 179.749 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-O 124.894 2.283 . . . . 0.0 109.441 178.335 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.028 0 CA-C-N 112.744 -2.025 . . . . 0.0 111.295 178.786 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.297 -1.704 0 CA-C-N 121.107 1.776 . . . . 0.0 112.761 179.852 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.253 1.287 0 CA-C-O 118.449 -0.786 . . . . 0.0 112.289 -176.299 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 O-C-N 124.102 0.876 . . . . 0.0 109.08 -179.327 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-O 115.203 -2.332 . . . . 0.0 110.911 -178.147 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.307 -1.255 0 O-C-N 127.564 3.04 . . . . 0.0 111.061 178.94 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.767 0 C-N-CA 127.34 2.256 . . . . 0.0 113.795 -177.156 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 125.947 2.029 . . . . 0.0 112.212 -179.944 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.392 0 CA-C-N 121.293 1.86 . . . . 0.0 114.823 179.866 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.56 0 C-N-CA 124.843 1.257 . . . . 0.0 111.424 179.535 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 107.168 -1.419 . . . . 0.0 107.168 178.943 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 178.23 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 O-C-N 124.84 1.338 . . . . 0.0 110.013 -178.642 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-N 113.676 -1.602 . . . . 0.0 111.04 178.344 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 127.17 2.188 . . . . 0.0 112.526 -178.566 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 113.736 -1.575 . . . . 0.0 111.961 179.784 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.678 0 CA-C-O 116.767 -1.587 . . . . 0.0 111.689 -178.287 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 126.496 2.373 . . . . 0.0 107.556 178.86 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.056 0 C-N-CA 126.401 1.881 . . . . 0.0 113.133 179.258 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.116 -0.947 . . . . 0.0 109.633 -179.186 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.189 0 O-C-N 124.436 1.085 . . . . 0.0 108.228 178.131 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-O 116.583 -1.675 . . . . 0.0 112.12 179.065 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.535 0 N-CA-C 115.891 1.812 . . . . 0.0 115.891 -179.736 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 O-C-N 124.479 1.112 . . . . 0.0 111.118 -177.921 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.124 0 O-C-N 125.454 1.721 . . . . 0.0 111.379 -178.681 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.078 0 C-N-CA 127.281 2.232 . . . . 0.0 107.441 179.154 . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 500' ' ' MXT . . . . . 1.203 H121 ' CA ' ' A' ' 41' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 600' ' ' MXT . . . . . 0.644 H232 ' O11' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.642 ' O ' ' O11' ' A' ' 500' ' ' MXT . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.489 ' C ' H121 ' A' ' 500' ' ' MXT . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.699 ' N ' H121 ' A' ' 500' ' ' MXT . 0.5 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 1.076 ' N ' H122 ' A' ' 500' ' ' MXT . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.506 2.33 0 O-C-N 125.664 1.852 . . . . 0.0 106.847 169.4 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.702 1 O-C-N 129.176 4.25 . . . . 0.0 107.973 -172.997 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.898 0 CA-C-N 121.041 1.746 . . . . 0.0 112.64 179.907 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.502 2.164 0 CA-C-N 114.262 -1.335 . . . . 0.0 110.941 177.64 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.171 0 C-N-CA 126.989 2.116 . . . . 0.0 110.219 -178.243 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.454 0 O-C-N 120.825 -1.172 . . . . 0.0 109.829 -176.595 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.582 0 N-CA-C 105.965 -1.865 . . . . 0.0 105.965 -179.703 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 127.137 2.773 . . . . 0.0 107.838 -178.786 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.572 1.789 0 CA-C-O 115.422 -2.227 . . . . 0.0 106.412 178.537 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.529 1 O-C-N 130.737 5.023 . . . . 0.0 106.332 179.541 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.132 0 CA-C-O 113.73 -3.033 . . . . 0.0 105.886 -179.85 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-N 121.132 1.787 . . . . 0.0 110.01 -177.779 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.294 -1.818 0 O-C-N 125.898 1.999 . . . . 0.0 105.8 -176.591 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.254 1.336 0 O-C-N 127.49 2.994 . . . . 0.0 112.718 -176.342 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.972 0 O-C-N 127.24 2.838 . . . . 0.0 112.252 177.677 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.314 -0.955 0 O-C-N 119.025 -2.297 . . . . 0.0 111.893 -179.66 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.331 -0.222 0 O-C-N 126.715 2.509 . . . . 0.0 109.74 -174.897 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.752 0 C-N-CA 124.679 3.586 . . . . 0.0 111.953 179.71 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.845 0 CA-C-N 111.747 -2.479 . . . . 0.0 106.789 179.127 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.255 0 O-C-N 127.501 3.369 . . . . 0.0 107.932 178.999 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.509 0 C-N-CA 121.835 1.69 . . . . 0.0 108.298 178.904 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.428 -1.574 0 O-C-N 127.08 2.737 . . . . 0.0 112.137 179.982 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.996 0 C-N-CA 126.749 2.02 . . . . 0.0 114.916 -174.498 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.57 1.722 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 175.025 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 124.921 1.388 . . . . 0.0 113.64 -175.827 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.435 0 CA-C-O 117.413 -1.28 . . . . 0.0 112.767 -179.399 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.253 1.277 0 CA-C-N 121.772 2.078 . . . . 0.0 114.959 179.552 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.465 0 C-N-CA 122.156 1.904 . . . . 0.0 113.303 178.099 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.292 -1.895 0 C-N-CA 129.762 3.225 . . . . 0.0 112.306 178.896 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.313 -1.019 0 O-C-N 119.387 -2.07 . . . . 0.0 109.531 177.957 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.559 1.318 0 CA-C-O 115.559 -2.162 . . . . 0.0 109.25 179.672 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 127.404 2.94 . . . . 0.0 109.357 179.626 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.253 1.25 0 O-C-N 120.312 -1.493 . . . . 0.0 112.859 177.2 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 122.047 0.927 . . . . 0.0 113.325 179.03 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.241 0 C-N-CA 126.484 1.914 . . . . 0.0 109.26 179.741 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 125.099 1.499 . . . . 0.0 110.264 175.835 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.269 2.111 0 C-N-CA 127.091 2.156 . . . . 0.0 114.576 178.805 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.545 1.943 0 CA-C-O 117.134 -1.926 . . . . 0.0 112.386 178.458 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-N 118.153 0.976 . . . . 0.0 108.488 179.304 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 176.068 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.934 0 C-N-CA 123.903 0.881 . . . . 0.0 112.882 -179.504 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.475 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 -175.526 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.095 0 C-N-CA 125.086 1.354 . . . . 0.0 108.15 175.036 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 177.264 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.931 0 CA-C-N 114.295 -1.321 . . . . 0.0 110.126 -179.913 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-O 116.004 -1.951 . . . . 0.0 112.315 178.853 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.278 -2.538 0 N-CA-C 116.565 2.061 . . . . 0.0 116.565 -174.884 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.599 0 CA-C-O 122.759 1.266 . . . . 0.0 112.297 -178.969 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 122.34 2.027 . . . . 0.0 115.13 -179.564 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 177.615 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.42 0 N-CA-C 115.176 1.546 . . . . 0.0 115.176 178.388 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.105 0 O-C-N 118.347 -2.721 . . . . 0.0 114.673 -179.103 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.324 0 N-CA-C 115.952 1.834 . . . . 0.0 115.952 179.653 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.058 0 CA-C-N 120.316 1.148 . . . . 0.0 114.882 -179.607 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.272 1.029 . . . . 0.0 112.041 179.85 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 O-C-N 125.044 1.465 . . . . 0.0 111.467 -179.777 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.255 1.36 0 N-CA-C 116.929 2.196 . . . . 0.0 116.929 179.132 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 127.616 2.366 . . . . 0.0 115.558 -178.102 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.857 0 N-CA-C 117.129 2.27 . . . . 0.0 117.129 -178.52 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.482 -1.994 0 CA-C-O 115.697 -2.724 . . . . 0.0 118.838 177.676 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.971 0 CA-C-N 124.147 3.973 . . . . 0.0 111.384 179.701 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-O 115.656 -2.116 . . . . 0.0 106.263 177.51 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.505 0 O-C-N 125.516 1.76 . . . . 0.0 107.615 -178.974 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.479 0 O-C-N 125.77 1.919 . . . . 0.0 111.514 -179.681 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-O 122.086 0.946 . . . . 0.0 110.733 179.388 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.248 1.011 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 -179.901 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.266 1.955 0 O-C-N 125.989 2.056 . . . . 0.0 116.221 -179.843 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.81 0 CA-C-O 117.897 -1.049 . . . . 0.0 112.576 -178.287 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 1.981 0 N-CA-C 107.809 -2.116 . . . . 0.0 107.809 -178.397 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 125.308 2.48 . . . . 0.0 112.655 -177.787 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.86 0 CA-C-N 110.94 -2.846 . . . . 0.0 110.403 179.231 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.314 -0.967 0 O-C-N 126.389 2.305 . . . . 0.0 105.433 176.602 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.409 0 N-CA-C 117.791 2.515 . . . . 0.0 117.791 -176.582 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 178.755 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 103.825 -2.658 . . . . 0.0 103.825 177.062 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 CA-C-N 112.036 -2.347 . . . . 0.0 108.08 -179.357 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.303 0 N-CA-C 118.524 2.17 . . . . 0.0 118.524 -178.22 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.241 0.652 0 O-C-N 121.46 -1.023 . . . . 0.0 112.248 -179.669 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.668 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 -177.173 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.866 0 CA-C-O 124.246 1.974 . . . . 0.0 110.008 -179.741 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.245 0.845 0 CA-C-N 113.385 -1.734 . . . . 0.0 108.407 -178.392 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 C--N 1.318 -0.441 0 CA-C-N 114.02 -1.445 . . . . 0.0 110.194 179.279 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 124.843 0.966 . . . . 0.0 110.017 179.912 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.984 0 CA-C-N 114.347 -1.297 . . . . 0.0 109.368 179.296 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.216 0 O-C-N 124.556 1.16 . . . . 0.0 110.214 178.867 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.31 -0.864 0 N-CA-C 119.041 2.376 . . . . 0.0 119.041 -179.659 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.822 0 O-C-N 120.851 -1.382 . . . . 0.0 109.028 179.508 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 107.07 -1.455 . . . . 0.0 107.07 178.626 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.889 0 O-C-N 125.707 1.88 . . . . 0.0 110.272 179.142 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.339 0.59 . . . . 0.0 111.894 -179.183 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 115.736 -2.078 . . . . 0.0 108.863 -177.965 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.293 -1.863 0 O-C-N 127.248 2.842 . . . . 0.0 110.402 178.681 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 N--CA 1.44 -0.94 0 CA-C-O 117.675 -1.155 . . . . 0.0 109.598 -179.694 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 O-C-N 128.134 3.396 . . . . 0.0 112.826 -177.709 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.249 0 O-C-N 125.12 1.513 . . . . 0.0 111.728 -178.089 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 123.887 0.875 . . . . 0.0 110.181 178.264 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.292 -1.926 0 N-CA-C 118.058 2.614 . . . . 0.0 118.058 175.704 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.041 0 C-N-CA 124.085 0.954 . . . . 0.0 109.099 177.541 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 127.448 2.968 . . . . 0.0 111.374 -177.96 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.305 -1.364 0 C-N-CA 129.975 3.31 . . . . 0.0 108.915 178.38 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.246 0.916 0 O-C-N 126.771 2.544 . . . . 0.0 113.733 -178.132 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 115.256 1.576 . . . . 0.0 115.256 -178.362 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 124.744 1.277 . . . . 0.0 109.943 178.584 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.303 -1.441 0 C-N-CA 124.014 0.925 . . . . 0.0 109.195 179.004 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.315 -0.903 0 C-N-CA 123.495 0.718 . . . . 0.0 112.678 -178.405 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-O 116.979 -1.486 . . . . 0.0 110.973 -177.813 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 CA-C-O 116.737 -1.601 . . . . 0.0 110.676 -176.953 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.164 0 CA-C-N 119.607 1.094 . . . . 0.0 112.875 -178.913 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 124.961 1.305 . . . . 0.0 111.697 -178.477 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 125.045 1.466 . . . . 0.0 108.273 -179.588 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 126.567 2.417 . . . . 0.0 111.617 -178.909 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.249 1.029 0 C-N-CA 120.134 -0.626 . . . . 0.0 110.505 177.559 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 -177.758 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.3 -1.564 0 C-N-CA 125.676 1.591 . . . . 0.0 111.232 177.38 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.466 0.67 0 O-C-N 121.309 -0.869 . . . . 0.0 114.247 -179.408 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 113.318 0.858 . . . . 0.0 113.318 179.173 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 119.857 -1.777 . . . . 0.0 109.7 -179.398 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.44 -0.938 0 N-CA-C 116.349 1.981 . . . . 0.0 116.349 -176.932 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 125.26 1.6 . . . . 0.0 110.339 -176.681 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 112.552 -2.113 . . . . 0.0 108.322 176.016 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 N-CA-C 104.475 -2.417 . . . . 0.0 104.475 178.52 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 125.372 1.67 . . . . 0.0 108.278 -177.707 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.283 0 O-C-N 125.893 1.996 . . . . 0.0 110.988 -175.545 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.441 0 O-C-N 126.269 2.721 . . . . 0.0 115.025 -176.493 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.259 1.562 0 O-C-N 120.401 -1.437 . . . . 0.0 113.801 177.688 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.377 0 N-CA-C 115.621 1.711 . . . . 0.0 115.621 -176.969 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.264 1.829 0 CA-C-O 115.059 -2.401 . . . . 0.0 112.791 -178.709 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.609 0 CA-C-N 120.942 1.701 . . . . 0.0 114.835 -178.019 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.058 0 C-N-CA 127.049 2.14 . . . . 0.0 111.19 -179.54 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 O-C-N 126.249 2.218 . . . . 0.0 110.502 -179.787 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 125.388 1.475 . . . . 0.0 107.05 177.918 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.744 0 C-N-CA 126.523 1.929 . . . . 0.0 112.665 178.977 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.177 0 CA-C-N 113.192 -1.822 . . . . 0.0 111.43 -177.726 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.146 0 C-N-CA 123.829 0.851 . . . . 0.0 113.156 -179.11 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 104.151 -2.537 . . . . 0.0 104.151 177.469 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 104.81 -2.293 . . . . 0.0 104.81 178.669 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 128.576 3.673 . . . . 0.0 116.956 -175.632 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.312 0 N-CA-C 105.334 -3.106 . . . . 0.0 105.334 177.091 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.382 0 O-C-N 128.488 3.111 . . . . 0.0 106.518 179.824 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.832 0 C-N-CA 118.926 -1.11 . . . . 0.0 112.71 -177.645 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 177.495 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.824 0 CA-C-O 122.468 1.127 . . . . 0.0 108.093 176.44 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.281 0 C-N-CA 121.561 1.507 . . . . 0.0 111.842 -179.717 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 176.982 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 105.369 -2.086 . . . . 0.0 105.369 177.453 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 122.807 1.289 . . . . 0.0 110.087 -176.885 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.25 1.109 0 CA-C-N 112.718 -2.037 . . . . 0.0 112.768 178.986 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.23 0 CA-C-N 118.165 0.982 . . . . 0.0 110.796 179.95 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.928 0 O-C-N 123.517 1.272 . . . . 0.0 111.608 177.277 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 103.165 -2.902 . . . . 0.0 103.165 178.526 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.306 -1.32 0 O-C-N 126.877 2.61 . . . . 0.0 112.254 -179.105 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.44 -1.671 0 N-CA-C 107.564 -1.745 . . . . 0.0 107.564 -179.561 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.954 0 O-C-N 128.111 3.382 . . . . 0.0 103.013 179.923 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.266 1.925 0 CA-C-O 115.992 -1.956 . . . . 0.0 108.795 179.426 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.816 0 N-CA-C 104.096 -3.602 . . . . 0.0 104.096 -178.563 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.506 0 CA-C-O 115.71 -2.091 . . . . 0.0 109.498 -179.997 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.732 0 N-CA-C 103.716 -2.698 . . . . 0.0 103.716 -176.115 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.496 -1.1 0 O-C-N 127.751 3.157 . . . . 0.0 113.528 -178.842 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 106.294 -1.743 . . . . 0.0 106.294 -177.958 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.501 2.989 0 O-C-N 126.279 2.237 . . . . 0.0 107.587 -178.806 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 120.7 -1.471 . . . . 0.0 110.271 179.92 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.306 0 N-CA-C 100.616 -3.846 . . . . 0.0 100.616 -176.686 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.445 -1.33 0 CA-C-O 115.24 -2.067 . . . . 0.0 112.121 177.973 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.808 0 CA-C-N 120.707 1.594 . . . . 0.0 109.525 177.817 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.276 2.47 0 CA-C-N 112.855 -1.975 . . . . 0.0 110.603 178.334 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.308 0 O-C-N 120.9 -1.125 . . . . 0.0 110.446 178.551 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.172 0 O-C-N 125.798 1.936 . . . . 0.0 110.247 -178.354 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.081 0 O-C-N 127.069 2.731 . . . . 0.0 107.052 178.961 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.632 0 CA-C-O 122.222 1.01 . . . . 0.0 112.937 177.859 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.892 0 O-C-N 117.458 -3.276 . . . . 0.0 114.59 179.72 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.571 1.767 0 O-C-N 125.594 1.809 . . . . 0.0 108.159 179.451 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.299 -1.598 1 O-C-N 129.232 4.082 . . . . 0.0 109.744 179.222 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 120.005 -1.685 . . . . 0.0 111.901 179.032 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 125.129 1.372 . . . . 0.0 112.756 178.754 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.032 0 C-N-CA 128.013 2.721 . . . . 0.0 114.325 -178.322 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.288 0 C-N-CA 128.286 2.635 . . . . 0.0 111.516 -179.787 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 C-N-CA 117.603 -1.639 . . . . 0.0 107.372 178.685 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.287 -2.13 0 CA-C-O 117.257 -1.354 . . . . 0.0 109.022 -179.21 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.317 0 C-N-CA 122.859 2.373 . . . . 0.0 111.724 177.665 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 332' ' ' ASN . . . . . . . . . . . . . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.249 1.027 0 O-C-N 118.622 -2.549 . . . . 0.0 115.685 -178.716 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.037 0 C-N-CA 126.648 1.979 . . . . 0.0 110.952 -178.175 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.506 -0.908 0 C-N-CA 123.413 2.742 . . . . 0.0 115.47 177.124 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 121.307 1.867 . . . . 0.0 113.436 178.018 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 125.003 1.321 . . . . 0.0 108.014 -179.97 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.856 0 C-N-CA 119.002 -1.079 . . . . 0.0 109.803 179.08 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.647 -0.658 . . . . 0.0 109.303 179.106 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-N 114.23 -1.35 . . . . 0.0 109.764 179.829 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.295 0 CA-C-N 119.578 1.081 . . . . 0.0 111.963 -177.988 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-O 117.107 -1.425 . . . . 0.0 111.838 -178.043 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 115.043 1.497 . . . . 0.0 115.043 -178.935 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.482 0 CA-C-N 114.549 -1.205 . . . . 0.0 109.13 179.772 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-O 124.899 2.285 . . . . 0.0 109.426 178.322 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.037 0 CA-C-N 112.729 -2.032 . . . . 0.0 111.29 178.774 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.76 0 CA-C-N 121.158 1.799 . . . . 0.0 112.764 179.875 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.253 1.287 0 CA-C-O 118.442 -0.79 . . . . 0.0 112.294 -176.322 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 O-C-N 124.104 0.877 . . . . 0.0 109.112 -179.349 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-O 115.238 -2.315 . . . . 0.0 110.913 -178.149 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.202 0 O-C-N 127.54 3.025 . . . . 0.0 111.068 178.951 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.294 -1.834 0 C-N-CA 127.391 2.276 . . . . 0.0 113.773 -177.17 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 126.02 2.075 . . . . 0.0 112.223 -179.964 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.255 1.413 0 CA-C-N 121.328 1.876 . . . . 0.0 114.811 179.85 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.554 0 C-N-CA 124.776 1.23 . . . . 0.0 111.409 179.56 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 178.954 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 178.22 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 O-C-N 124.836 1.335 . . . . 0.0 110.002 -178.662 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 113.68 -1.6 . . . . 0.0 111.0 178.353 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.522 0 C-N-CA 127.131 2.172 . . . . 0.0 112.585 -178.61 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 113.673 -1.603 . . . . 0.0 111.977 179.752 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-O 116.742 -1.599 . . . . 0.0 111.695 -178.308 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 126.491 2.369 . . . . 0.0 107.561 178.851 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.07 0 C-N-CA 126.412 1.885 . . . . 0.0 113.149 179.264 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.651 -179.216 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.194 0 O-C-N 124.423 1.077 . . . . 0.0 108.22 178.117 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-O 116.538 -1.696 . . . . 0.0 112.117 179.039 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.503 0 N-CA-C 115.901 1.815 . . . . 0.0 115.901 -179.761 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 O-C-N 124.479 1.112 . . . . 0.0 111.072 -177.875 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.144 0 O-C-N 125.446 1.717 . . . . 0.0 111.348 -178.641 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.047 0 C-N-CA 127.268 2.227 . . . . 0.0 107.463 179.118 . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 500' ' ' MXT . . . . . 1.076 H122 ' N ' ' A' ' 42' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 600' ' ' MXT . . . . . 0.877 H232 ' O11' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.584 ' O ' H122 ' A' ' 500' ' ' MXT . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.512 ' C ' H122 ' A' ' 500' ' ' MXT . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.754 ' H ' H121 ' A' ' 500' ' ' MXT . 1.8 m -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.317 0 O-C-N 125.664 1.852 . . . . 0.0 106.83 168.912 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.751 1 O-C-N 129.167 4.246 . . . . 0.0 107.997 -175.252 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.93 0 CA-C-N 121.038 1.744 . . . . 0.0 112.655 -178.031 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.211 0 CA-C-N 114.254 -1.339 . . . . 0.0 110.944 -177.489 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.213 0 C-N-CA 126.978 2.111 . . . . 0.0 110.247 -177.875 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.481 0 O-C-N 120.857 -1.152 . . . . 0.0 109.836 179.402 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.26 1.608 0 N-CA-C 105.953 -1.869 . . . . 0.0 105.953 -177.184 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 127.105 2.753 . . . . 0.0 107.79 179.388 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.769 0 CA-C-O 115.503 -2.189 . . . . 0.0 106.393 178.684 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.544 1 O-C-N 130.664 4.978 . . . . 0.0 106.28 177.869 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.158 0 CA-C-O 113.752 -3.023 . . . . 0.0 105.856 -179.838 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-N 121.12 1.782 . . . . 0.0 109.994 -177.787 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 125.869 1.98 . . . . 0.0 105.768 -176.598 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.377 0 O-C-N 127.497 2.998 . . . . 0.0 112.732 -176.367 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.936 0 O-C-N 127.206 2.816 . . . . 0.0 112.254 177.657 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.314 -0.954 0 O-C-N 119.079 -2.263 . . . . 0.0 111.899 -179.659 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.331 -0.206 0 O-C-N 126.625 2.453 . . . . 0.0 109.732 -174.897 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.719 0 C-N-CA 124.686 3.591 . . . . 0.0 111.901 179.756 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.869 0 CA-C-N 111.711 -2.495 . . . . 0.0 106.74 179.185 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.244 0 O-C-N 127.508 3.373 . . . . 0.0 107.888 178.997 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.329 -0.474 0 CA-C-O 116.169 -1.68 . . . . 0.0 108.319 178.844 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.428 -1.56 0 O-C-N 127.093 2.746 . . . . 0.0 112.134 179.937 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.979 0 C-N-CA 126.776 2.03 . . . . 0.0 114.926 -174.477 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.687 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 175.021 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.29 0 O-C-N 124.917 1.386 . . . . 0.0 113.654 -175.782 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.417 0 CA-C-O 117.439 -1.267 . . . . 0.0 112.783 -179.422 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.253 1.289 0 CA-C-N 121.724 2.056 . . . . 0.0 115.002 179.532 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.476 0 C-N-CA 122.203 1.935 . . . . 0.0 113.325 178.061 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.877 0 C-N-CA 129.781 3.232 . . . . 0.0 112.292 178.817 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.052 0 O-C-N 119.455 -2.028 . . . . 0.0 109.535 178.02 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.351 0 CA-C-O 115.565 -2.16 . . . . 0.0 109.175 179.745 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 127.366 2.916 . . . . 0.0 109.385 179.599 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.234 0 O-C-N 120.241 -1.537 . . . . 0.0 112.888 177.191 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 122.052 0.93 . . . . 0.0 113.302 179.041 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.306 -1.293 0 C-N-CA 126.51 1.924 . . . . 0.0 109.259 179.751 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.776 0 O-C-N 125.121 1.513 . . . . 0.0 110.228 175.892 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.161 0 C-N-CA 127.08 2.152 . . . . 0.0 114.566 178.857 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.01 0 CA-C-O 117.083 -1.954 . . . . 0.0 112.343 178.46 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 118.167 0.984 . . . . 0.0 108.496 179.288 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 176.036 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.953 0 C-N-CA 123.935 0.894 . . . . 0.0 112.873 -179.548 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.458 0 N-CA-C 114.983 1.475 . . . . 0.0 114.983 -175.567 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.071 0 C-N-CA 125.068 1.347 . . . . 0.0 108.135 175.09 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 177.252 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.934 0 CA-C-N 114.33 -1.305 . . . . 0.0 110.117 -179.907 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-O 115.974 -1.965 . . . . 0.0 112.285 178.837 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.278 -2.542 0 N-CA-C 116.571 2.063 . . . . 0.0 116.571 -174.861 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.565 0 CA-C-O 122.75 1.262 . . . . 0.0 112.271 -178.902 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 122.352 2.035 . . . . 0.0 115.151 -179.573 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 177.638 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.422 0 N-CA-C 115.191 1.552 . . . . 0.0 115.191 178.3 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.111 0 O-C-N 118.284 -2.76 . . . . 0.0 114.605 -179.061 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.311 0 N-CA-C 115.956 1.836 . . . . 0.0 115.956 179.688 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.054 0 CA-C-N 120.244 1.123 . . . . 0.0 114.866 -179.636 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.252 1.021 . . . . 0.0 112.026 179.893 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 O-C-N 125.123 1.514 . . . . 0.0 111.492 -179.742 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.255 1.368 0 N-CA-C 116.905 2.187 . . . . 0.0 116.905 179.116 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 127.654 2.381 . . . . 0.0 115.572 -178.09 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.246 0.877 0 N-CA-C 117.113 2.264 . . . . 0.0 117.113 -178.542 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.482 -2.021 0 CA-C-O 115.651 -2.749 . . . . 0.0 118.826 177.66 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.29 -1.99 0 CA-C-N 124.183 3.992 . . . . 0.0 111.371 179.701 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-O 115.655 -2.117 . . . . 0.0 106.283 177.455 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.302 -1.482 0 O-C-N 125.471 1.732 . . . . 0.0 107.647 -178.964 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.484 0 O-C-N 125.743 1.902 . . . . 0.0 111.524 -179.681 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-O 122.089 0.947 . . . . 0.0 110.757 179.419 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.25 1.081 0 N-CA-C 106.763 -1.569 . . . . 0.0 106.763 -179.892 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.266 1.964 0 O-C-N 126.059 2.099 . . . . 0.0 116.221 -179.789 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.794 0 CA-C-O 117.881 -1.057 . . . . 0.0 112.545 -178.237 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.485 1.915 0 N-CA-C 107.827 -2.109 . . . . 0.0 107.827 -178.41 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 125.32 2.486 . . . . 0.0 112.695 -177.811 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.827 0 CA-C-N 110.896 -2.866 . . . . 0.0 110.388 179.219 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -0.989 0 O-C-N 126.354 2.284 . . . . 0.0 105.427 176.595 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.385 0 N-CA-C 117.832 2.53 . . . . 0.0 117.832 -176.562 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 178.805 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 103.829 -2.656 . . . . 0.0 103.829 177.024 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 CA-C-N 111.964 -2.38 . . . . 0.0 108.038 -179.335 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.34 0 N-CA-C 118.55 2.18 . . . . 0.0 118.55 -178.252 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.243 0.712 0 O-C-N 121.506 -0.997 . . . . 0.0 112.24 -179.651 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.65 0 O-C-N 123.666 0.604 . . . . 0.0 112.592 -177.142 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.863 0 CA-C-O 124.253 1.977 . . . . 0.0 110.059 -179.806 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.878 0 CA-C-N 113.445 -1.707 . . . . 0.0 108.351 -178.355 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.462 0.423 0 CA-C-N 114.03 -1.441 . . . . 0.0 110.209 179.306 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 124.82 0.953 . . . . 0.0 109.967 179.95 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 1.008 0 CA-C-N 114.41 -1.268 . . . . 0.0 109.337 179.315 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.204 0 O-C-N 124.492 1.12 . . . . 0.0 110.149 178.876 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.858 0 N-CA-C 119.025 2.37 . . . . 0.0 119.025 -179.603 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.843 0 O-C-N 120.915 -1.344 . . . . 0.0 109.086 179.509 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 178.632 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.266 1.943 0 O-C-N 125.686 1.866 . . . . 0.0 110.212 179.14 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.357 0.599 . . . . 0.0 111.903 -179.161 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 115.691 -2.099 . . . . 0.0 108.764 -177.879 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.92 0 O-C-N 127.267 2.854 . . . . 0.0 110.332 178.75 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 117.643 -1.17 . . . . 0.0 109.537 -179.67 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 O-C-N 128.13 3.393 . . . . 0.0 112.808 -177.68 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.269 0 O-C-N 125.091 1.494 . . . . 0.0 111.716 -178.036 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 123.936 0.894 . . . . 0.0 110.175 178.25 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 118.018 2.599 . . . . 0.0 118.018 175.707 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.042 0 C-N-CA 124.081 0.952 . . . . 0.0 109.077 177.505 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 127.447 2.967 . . . . 0.0 111.366 -177.947 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 129.945 3.298 . . . . 0.0 108.994 178.301 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.246 0.876 0 O-C-N 126.823 2.577 . . . . 0.0 113.765 -178.139 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 115.297 1.591 . . . . 0.0 115.297 -178.418 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 124.749 1.281 . . . . 0.0 109.929 178.544 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 124.062 0.945 . . . . 0.0 109.225 179.026 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.89 0 C-N-CA 123.505 0.722 . . . . 0.0 112.672 -178.457 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-O 117.051 -1.452 . . . . 0.0 111.01 -177.813 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 CA-C-O 116.78 -1.581 . . . . 0.0 110.665 -176.925 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.172 0 CA-C-N 119.539 1.063 . . . . 0.0 112.858 -178.839 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 124.967 1.307 . . . . 0.0 111.655 -178.469 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 125.015 1.447 . . . . 0.0 108.244 -179.543 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 126.567 2.417 . . . . 0.0 111.634 -178.917 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 0.998 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.517 177.544 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 114.347 1.24 . . . . 0.0 114.347 -177.761 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.508 0 C-N-CA 125.648 1.579 . . . . 0.0 111.232 177.391 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 C--O 1.243 0.691 0 O-C-N 121.275 -0.891 . . . . 0.0 114.263 -179.406 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.601 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 179.237 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 119.838 -1.789 . . . . 0.0 109.636 -179.342 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.876 0 N-CA-C 116.314 1.968 . . . . 0.0 116.314 -176.929 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 125.295 1.622 . . . . 0.0 110.304 -176.642 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 112.564 -2.107 . . . . 0.0 108.295 176.073 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 N-CA-C 104.496 -2.409 . . . . 0.0 104.496 178.489 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 125.418 1.699 . . . . 0.0 108.294 -177.658 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.302 -1.315 0 O-C-N 125.917 2.011 . . . . 0.0 111.001 -175.57 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.46 0 O-C-N 126.237 2.704 . . . . 0.0 115.035 -176.473 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.259 1.574 0 O-C-N 120.399 -1.438 . . . . 0.0 113.854 177.651 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.388 0 N-CA-C 115.6 1.704 . . . . 0.0 115.6 -176.976 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.263 1.81 0 CA-C-O 115.113 -2.375 . . . . 0.0 112.772 -178.705 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.629 0 CA-C-N 120.935 1.698 . . . . 0.0 114.825 -177.974 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.311 -1.072 0 C-N-CA 127.057 2.143 . . . . 0.0 111.182 -179.532 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 O-C-N 126.208 2.192 . . . . 0.0 110.481 -179.737 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 107.029 -1.471 . . . . 0.0 107.029 177.893 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.717 0 C-N-CA 126.546 1.938 . . . . 0.0 112.648 178.995 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.167 0 CA-C-N 113.169 -1.832 . . . . 0.0 111.445 -177.706 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.11 0 C-N-CA 123.801 0.84 . . . . 0.0 113.156 -179.094 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 N-CA-C 104.154 -2.535 . . . . 0.0 104.154 177.422 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 104.836 -2.283 . . . . 0.0 104.836 178.637 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 128.462 3.602 . . . . 0.0 117.027 -175.639 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.343 0 N-CA-C 105.338 -3.105 . . . . 0.0 105.338 177.04 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.273 2.327 0 O-C-N 128.574 3.161 . . . . 0.0 106.494 179.798 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.847 0 C-N-CA 118.92 -1.112 . . . . 0.0 112.715 -177.621 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.764 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 177.565 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.823 0 CA-C-O 122.47 1.128 . . . . 0.0 108.089 176.456 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.313 0 C-N-CA 121.517 1.478 . . . . 0.0 111.895 -179.705 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 177.037 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 105.363 -2.088 . . . . 0.0 105.363 177.52 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 122.827 1.298 . . . . 0.0 110.132 -176.887 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.179 0 CA-C-N 112.692 -2.049 . . . . 0.0 112.797 179.067 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.223 0 CA-C-N 118.164 0.982 . . . . 0.0 110.758 179.706 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.453 -0.906 0 O-C-N 123.459 1.242 . . . . 0.0 111.634 177.048 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 103.212 -2.884 . . . . 0.0 103.212 178.589 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.335 0 O-C-N 126.853 2.595 . . . . 0.0 112.277 -178.847 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.44 -1.675 0 N-CA-C 107.575 -1.74 . . . . 0.0 107.575 -179.972 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.972 0 O-C-N 128.125 3.391 . . . . 0.0 103.038 179.87 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.996 0 CA-C-O 115.981 -1.961 . . . . 0.0 108.792 179.522 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.544 1.844 0 N-CA-C 104.055 -3.618 . . . . 0.0 104.055 -179.236 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.533 0 CA-C-O 115.691 -2.1 . . . . 0.0 109.489 -178.484 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.717 0 N-CA-C 103.725 -2.694 . . . . 0.0 103.725 -178.44 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.074 0 O-C-N 127.781 3.176 . . . . 0.0 113.529 -179.446 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 106.332 -1.729 . . . . 0.0 106.332 -177.519 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.948 0 O-C-N 126.292 2.245 . . . . 0.0 107.597 -179.558 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.036 -2.45 . . . . 0.0 110.271 -177.552 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.311 0 N-CA-C 100.59 -3.856 . . . . 0.0 100.59 -177.041 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.291 0 CA-C-O 115.24 -2.067 . . . . 0.0 112.08 179.01 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.272 -2.8 0 CA-C-N 120.748 1.613 . . . . 0.0 109.567 177.838 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.405 0 CA-C-N 112.858 -1.974 . . . . 0.0 110.573 178.276 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.309 0 O-C-N 120.954 -1.091 . . . . 0.0 110.38 178.592 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.139 0 O-C-N 125.782 1.926 . . . . 0.0 110.241 -178.357 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.101 0 O-C-N 127.018 2.699 . . . . 0.0 107.041 178.95 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.611 0 CA-C-O 122.243 1.02 . . . . 0.0 112.906 177.916 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.914 0 O-C-N 117.393 -3.317 . . . . 0.0 114.616 179.663 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.814 0 O-C-N 125.585 1.803 . . . . 0.0 108.155 179.477 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.579 1 O-C-N 129.254 4.097 . . . . 0.0 109.741 179.225 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 120.02 -1.675 . . . . 0.0 111.864 179.109 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.302 -1.469 0 C-N-CA 125.099 1.36 . . . . 0.0 112.784 178.698 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.061 0 C-N-CA 128.003 2.716 . . . . 0.0 114.286 -179.442 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.255 0 C-N-CA 128.276 2.63 . . . . 0.0 111.47 -178.523 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 C-N-CA 117.591 -1.643 . . . . 0.0 107.393 -179.771 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.097 0 CA-C-O 117.282 -1.342 . . . . 0.0 109.022 -179.924 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 N--CA 1.49 1.316 0 C-N-CA 122.852 2.368 . . . . 0.0 111.715 176.781 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 332' ' ' ASN . . . . . . . . . . . . . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.249 1.029 0 O-C-N 118.636 -2.54 . . . . 0.0 115.691 -177.149 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.313 -0.997 0 C-N-CA 126.596 1.958 . . . . 0.0 110.969 176.155 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.506 -0.908 0 C-N-CA 123.41 2.74 . . . . 0.0 115.499 178.013 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 121.305 1.866 . . . . 0.0 113.416 177.981 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 124.982 1.313 . . . . 0.0 108.028 -179.993 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.862 0 C-N-CA 119.035 -1.066 . . . . 0.0 109.706 179.11 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.62 -0.675 . . . . 0.0 109.317 179.106 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 114.238 -1.347 . . . . 0.0 109.745 179.834 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-N 119.593 1.088 . . . . 0.0 111.929 -177.984 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-O 117.12 -1.419 . . . . 0.0 111.881 -178.028 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 115.007 1.484 . . . . 0.0 115.007 -178.92 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.448 0 CA-C-N 114.548 -1.206 . . . . 0.0 109.149 179.812 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 124.892 2.282 . . . . 0.0 109.47 178.311 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.043 0 CA-C-N 112.707 -2.042 . . . . 0.0 111.318 178.71 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.295 -1.77 0 CA-C-N 121.184 1.811 . . . . 0.0 112.73 179.851 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.307 0 CA-C-O 118.426 -0.797 . . . . 0.0 112.219 -176.265 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 O-C-N 124.089 0.868 . . . . 0.0 109.149 -179.307 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-O 115.219 -2.324 . . . . 0.0 110.88 -178.111 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 127.589 3.056 . . . . 0.0 111.033 178.974 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.804 0 C-N-CA 127.4 2.28 . . . . 0.0 113.737 -177.118 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 126.019 2.074 . . . . 0.0 112.181 -179.9 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.255 1.418 0 CA-C-N 121.324 1.874 . . . . 0.0 114.797 179.8 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.258 1.522 0 C-N-CA 124.821 1.249 . . . . 0.0 111.446 179.523 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 178.98 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 107.289 -1.375 . . . . 0.0 107.289 178.162 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 O-C-N 124.819 1.324 . . . . 0.0 110.011 -178.628 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 113.661 -1.608 . . . . 0.0 111.018 178.336 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.525 0 C-N-CA 127.134 2.174 . . . . 0.0 112.514 -178.533 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 113.681 -1.599 . . . . 0.0 111.956 179.785 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.241 0.652 0 CA-C-O 116.777 -1.582 . . . . 0.0 111.679 -178.259 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 126.54 2.4 . . . . 0.0 107.555 178.863 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.063 0 C-N-CA 126.442 1.897 . . . . 0.0 113.15 179.255 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.616 -179.191 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-O 122.328 1.061 . . . . 0.0 108.252 178.118 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-O 116.562 -1.685 . . . . 0.0 112.1 179.027 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.534 0 N-CA-C 115.883 1.809 . . . . 0.0 115.883 -179.71 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 O-C-N 124.449 1.093 . . . . 0.0 111.141 -177.967 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.117 0 O-C-N 125.491 1.745 . . . . 0.0 111.381 -178.63 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.044 0 C-N-CA 127.268 2.227 . . . . 0.0 107.469 179.102 . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 500' ' ' MXT . . . . . 0.882 ' O11' H232 ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 600' ' ' MXT . . . . . 0.732 ' O12' H232 ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.32 0 O-C-N 125.664 1.852 . . . . 0.0 106.85 174.201 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.731 1 O-C-N 129.197 4.262 . . . . 0.0 107.991 -178.177 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.929 0 CA-C-N 121.037 1.744 . . . . 0.0 112.638 -178.095 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.188 0 CA-C-N 114.222 -1.354 . . . . 0.0 110.898 -179.545 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 C-N-CA 126.955 2.102 . . . . 0.0 110.23 -178.357 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.468 0 O-C-N 120.901 -1.125 . . . . 0.0 109.818 179.866 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.26 1.61 0 N-CA-C 105.957 -1.868 . . . . 0.0 105.957 -177.642 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 127.108 2.755 . . . . 0.0 107.804 -179.82 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.778 0 CA-C-O 115.439 -2.219 . . . . 0.0 106.459 176.432 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.562 1 O-C-N 130.646 4.966 . . . . 0.0 106.327 179.178 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.145 0 CA-C-O 113.764 -3.017 . . . . 0.0 105.815 -179.795 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.459 0 CA-C-N 121.095 1.77 . . . . 0.0 110.006 -177.777 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.803 0 O-C-N 125.892 1.995 . . . . 0.0 105.801 -176.623 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.361 0 O-C-N 127.501 3.001 . . . . 0.0 112.731 -176.36 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.265 1.907 0 O-C-N 127.234 2.834 . . . . 0.0 112.306 177.588 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.916 0 O-C-N 119.086 -2.259 . . . . 0.0 111.931 -179.646 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.331 -0.198 0 O-C-N 126.612 2.445 . . . . 0.0 109.705 -174.855 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.753 0 C-N-CA 124.657 3.571 . . . . 0.0 111.96 179.704 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.872 0 CA-C-N 111.728 -2.487 . . . . 0.0 106.757 179.13 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.247 0 O-C-N 127.506 3.371 . . . . 0.0 107.922 178.939 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.502 0 C-N-CA 121.886 1.724 . . . . 0.0 108.316 178.837 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.583 0 O-C-N 127.057 2.723 . . . . 0.0 112.129 179.98 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.291 -1.976 0 C-N-CA 126.755 2.022 . . . . 0.0 114.902 -174.454 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.695 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 175.021 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 124.86 1.35 . . . . 0.0 113.677 -175.818 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.439 0 CA-C-O 117.399 -1.286 . . . . 0.0 112.763 -179.417 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.253 1.267 0 CA-C-N 121.763 2.074 . . . . 0.0 114.947 179.563 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.449 0 C-N-CA 122.167 1.911 . . . . 0.0 113.334 178.11 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.293 -1.883 0 C-N-CA 129.838 3.255 . . . . 0.0 112.24 178.832 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.058 0 O-C-N 119.467 -2.021 . . . . 0.0 109.537 177.986 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.328 0 CA-C-O 115.552 -2.166 . . . . 0.0 109.219 179.716 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 127.362 2.913 . . . . 0.0 109.394 179.593 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.213 0 O-C-N 120.289 -1.507 . . . . 0.0 112.937 177.141 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 122.024 0.916 . . . . 0.0 113.363 179.006 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.241 0 C-N-CA 126.442 1.897 . . . . 0.0 109.267 179.721 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.802 0 O-C-N 125.132 1.52 . . . . 0.0 110.237 175.855 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.159 0 C-N-CA 127.096 2.158 . . . . 0.0 114.636 178.798 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.547 2.046 0 CA-C-O 117.045 -1.975 . . . . 0.0 112.322 178.442 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.457 0 CA-C-N 118.143 0.972 . . . . 0.0 108.506 179.23 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 107.25 -1.389 . . . . 0.0 107.25 176.078 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.957 0 C-N-CA 123.983 0.913 . . . . 0.0 112.85 -179.56 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.485 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 -175.553 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.082 0 C-N-CA 125.01 1.324 . . . . 0.0 108.104 175.058 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 177.25 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.956 0 CA-C-N 114.312 -1.313 . . . . 0.0 110.106 -179.909 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-O 115.98 -1.962 . . . . 0.0 112.344 178.793 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.559 0 N-CA-C 116.554 2.057 . . . . 0.0 116.554 -174.923 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.599 0 CA-C-O 122.733 1.254 . . . . 0.0 112.304 -178.933 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 122.388 2.059 . . . . 0.0 115.107 -179.538 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 177.6 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.415 0 N-CA-C 115.19 1.552 . . . . 0.0 115.19 178.32 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.101 0 O-C-N 118.305 -2.747 . . . . 0.0 114.605 -179.035 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.299 0 N-CA-C 115.965 1.839 . . . . 0.0 115.965 179.712 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.502 -1.075 0 CA-C-N 120.263 1.13 . . . . 0.0 114.887 -179.598 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.305 1.042 . . . . 0.0 112.06 179.839 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 O-C-N 125.061 1.476 . . . . 0.0 111.506 -179.808 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.255 1.342 0 N-CA-C 116.891 2.182 . . . . 0.0 116.891 179.144 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 127.626 2.37 . . . . 0.0 115.585 -178.039 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.246 0.879 0 N-CA-C 117.131 2.271 . . . . 0.0 117.131 -178.567 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.041 0 CA-C-O 115.694 -2.726 . . . . 0.0 118.875 177.702 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.948 0 CA-C-N 124.172 3.986 . . . . 0.0 111.345 179.737 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-O 115.578 -2.154 . . . . 0.0 106.273 177.478 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.541 0 O-C-N 125.52 1.763 . . . . 0.0 107.636 -178.962 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.462 0 O-C-N 125.748 1.905 . . . . 0.0 111.516 -179.691 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-O 122.134 0.969 . . . . 0.0 110.698 179.484 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.248 1.012 0 N-CA-C 106.729 -1.582 . . . . 0.0 106.729 -179.874 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 1.98 0 O-C-N 126.097 2.123 . . . . 0.0 116.179 -179.836 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.264 1.825 0 CA-C-O 117.927 -1.035 . . . . 0.0 112.579 -178.26 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.485 1.966 0 N-CA-C 107.815 -2.114 . . . . 0.0 107.815 -178.37 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 125.359 2.504 . . . . 0.0 112.671 -177.872 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.246 0.883 0 CA-C-N 110.874 -2.876 . . . . 0.0 110.407 179.196 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -0.981 0 O-C-N 126.363 2.29 . . . . 0.0 105.451 176.562 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.405 0 N-CA-C 117.764 2.505 . . . . 0.0 117.764 -176.533 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 178.809 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 103.811 -2.663 . . . . 0.0 103.811 177.05 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 CA-C-N 111.978 -2.374 . . . . 0.0 108.02 -179.307 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.252 1.268 0 N-CA-C 118.552 2.181 . . . . 0.0 118.552 -178.233 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.659 0 O-C-N 121.503 -0.998 . . . . 0.0 112.269 -179.635 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.639 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -177.173 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.495 1.803 0 CA-C-O 124.213 1.959 . . . . 0.0 110.076 -179.79 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.914 0 CA-C-N 113.429 -1.714 . . . . 0.0 108.352 -178.406 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.463 0.495 0 CA-C-N 114.076 -1.42 . . . . 0.0 110.172 179.306 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 124.775 0.926 . . . . 0.0 110.005 179.975 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.247 0.965 0 CA-C-N 114.366 -1.288 . . . . 0.0 109.395 179.249 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.484 1.236 0 O-C-N 124.536 1.147 . . . . 0.0 110.197 178.851 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.841 0 N-CA-C 119.002 2.361 . . . . 0.0 119.002 -179.639 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.212 -0.875 0 O-C-N 120.866 -1.373 . . . . 0.0 109.095 179.517 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 107.092 -1.448 . . . . 0.0 107.092 178.608 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.264 1.852 0 O-C-N 125.71 1.882 . . . . 0.0 110.268 179.144 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.313 0.577 . . . . 0.0 111.886 -179.191 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 115.707 -2.092 . . . . 0.0 108.807 -177.905 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.928 0 O-C-N 127.302 2.877 . . . . 0.0 110.367 178.7 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-O 117.685 -1.15 . . . . 0.0 109.564 -179.681 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 O-C-N 128.083 3.364 . . . . 0.0 112.833 -177.734 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.262 0 O-C-N 125.066 1.479 . . . . 0.0 111.721 -178.072 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 123.875 0.87 . . . . 0.0 110.197 178.26 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 118.029 2.603 . . . . 0.0 118.029 175.667 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.057 0 C-N-CA 124.11 0.964 . . . . 0.0 109.088 177.544 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 127.417 2.948 . . . . 0.0 111.332 -177.914 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.305 -1.354 0 C-N-CA 129.962 3.305 . . . . 0.0 108.972 178.303 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.929 0 O-C-N 126.792 2.558 . . . . 0.0 113.77 -178.128 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 115.25 1.574 . . . . 0.0 115.25 -178.404 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 124.682 1.238 . . . . 0.0 109.95 178.501 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.378 0 C-N-CA 124.045 0.938 . . . . 0.0 109.152 179.057 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.89 0 C-N-CA 123.47 0.708 . . . . 0.0 112.744 -178.509 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-O 116.978 -1.487 . . . . 0.0 110.958 -177.817 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 CA-C-O 116.754 -1.594 . . . . 0.0 110.664 -176.938 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.149 0 CA-C-N 119.623 1.101 . . . . 0.0 112.867 -178.884 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 124.905 1.282 . . . . 0.0 111.707 -178.507 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 125.016 1.448 . . . . 0.0 108.284 -179.569 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 126.525 2.391 . . . . 0.0 111.617 -178.933 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 0.987 0 C-N-CA 120.137 -0.625 . . . . 0.0 110.527 177.576 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 114.29 1.219 . . . . 0.0 114.29 -177.792 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.512 0 C-N-CA 125.675 1.59 . . . . 0.0 111.245 177.378 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.466 0.669 0 O-C-N 121.316 -0.865 . . . . 0.0 114.252 -179.423 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.614 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 179.201 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.32 -0.675 0 O-C-N 119.849 -1.782 . . . . 0.0 109.636 -179.354 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 116.361 1.985 . . . . 0.0 116.361 -176.959 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.306 -1.326 0 O-C-N 125.262 1.601 . . . . 0.0 110.348 -176.687 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 112.561 -2.109 . . . . 0.0 108.339 176.039 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 N-CA-C 104.46 -2.422 . . . . 0.0 104.46 178.511 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 125.371 1.669 . . . . 0.0 108.275 -177.674 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.304 -1.232 0 O-C-N 125.84 1.962 . . . . 0.0 110.982 -175.558 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.474 -2.489 0 O-C-N 126.241 2.706 . . . . 0.0 115.072 -176.518 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.545 0 O-C-N 120.409 -1.432 . . . . 0.0 113.817 177.671 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.362 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 -176.989 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.263 1.804 0 CA-C-O 115.092 -2.385 . . . . 0.0 112.805 -178.727 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.644 0 CA-C-N 120.873 1.67 . . . . 0.0 114.797 -178.003 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.311 -1.096 0 C-N-CA 127.074 2.15 . . . . 0.0 111.204 -179.556 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 O-C-N 126.254 2.221 . . . . 0.0 110.484 -179.747 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 125.372 1.469 . . . . 0.0 107.052 177.879 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.261 1.698 0 C-N-CA 126.575 1.95 . . . . 0.0 112.573 179.049 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.179 0 CA-C-N 113.231 -1.804 . . . . 0.0 111.382 -177.661 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.149 0 C-N-CA 123.818 0.847 . . . . 0.0 113.171 -179.089 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 104.194 -2.521 . . . . 0.0 104.194 177.425 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 104.842 -2.281 . . . . 0.0 104.842 178.653 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 128.491 3.62 . . . . 0.0 116.996 -175.605 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.305 0 N-CA-C 105.327 -3.109 . . . . 0.0 105.327 177.066 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.387 0 O-C-N 128.451 3.089 . . . . 0.0 106.512 179.776 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.244 0.793 0 C-N-CA 118.956 -1.098 . . . . 0.0 112.68 -177.622 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.726 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 177.562 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.833 0 CA-C-O 122.44 1.114 . . . . 0.0 108.083 176.442 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.297 0 C-N-CA 121.506 1.471 . . . . 0.0 111.88 -179.727 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 176.966 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 105.365 -2.087 . . . . 0.0 105.365 177.52 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 122.788 1.28 . . . . 0.0 110.127 -176.875 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.25 1.135 0 CA-C-N 112.681 -2.054 . . . . 0.0 112.768 -178.621 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.229 0 CA-C-N 118.162 0.981 . . . . 0.0 110.771 -179.547 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.922 0 O-C-N 123.478 1.252 . . . . 0.0 111.653 177.174 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 103.142 -2.91 . . . . 0.0 103.142 178.475 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.306 -1.319 0 O-C-N 126.887 2.617 . . . . 0.0 112.241 -178.901 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.44 -1.666 0 N-CA-C 107.55 -1.75 . . . . 0.0 107.55 -179.761 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.29 -1.986 0 O-C-N 128.122 3.389 . . . . 0.0 102.995 179.508 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.979 0 CA-C-O 115.955 -1.974 . . . . 0.0 108.836 -177.738 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 C--N 1.293 -1.837 0 N-CA-C 104.086 -3.606 . . . . 0.0 104.086 179.307 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.529 0 CA-C-O 115.698 -2.096 . . . . 0.0 109.491 -178.457 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.72 0 N-CA-C 103.724 -2.695 . . . . 0.0 103.724 -178.714 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.498 -1.053 0 O-C-N 127.733 3.146 . . . . 0.0 113.528 -176.879 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 -178.773 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.501 2.979 0 O-C-N 126.292 2.245 . . . . 0.0 107.61 -178.728 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.954 -1.909 . . . . 0.0 110.271 -177.593 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.323 0 N-CA-C 100.621 -3.844 . . . . 0.0 100.621 -178.996 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.303 0 CA-C-O 115.224 -2.073 . . . . 0.0 112.121 179.551 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.805 0 CA-C-N 120.701 1.592 . . . . 0.0 109.559 177.794 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.276 2.456 0 CA-C-N 112.853 -1.976 . . . . 0.0 110.6 178.296 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.317 0 O-C-N 120.927 -1.108 . . . . 0.0 110.444 178.555 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.157 0 O-C-N 125.819 1.949 . . . . 0.0 110.27 -178.336 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.078 0 O-C-N 126.996 2.685 . . . . 0.0 107.048 178.944 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.484 -1.583 0 CA-C-O 122.158 0.98 . . . . 0.0 112.893 177.867 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.899 0 O-C-N 117.516 -3.24 . . . . 0.0 114.614 179.661 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.804 0 O-C-N 125.635 1.834 . . . . 0.0 108.127 179.525 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.299 -1.606 1 O-C-N 129.249 4.093 . . . . 0.0 109.767 179.184 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 120.11 -1.619 . . . . 0.0 111.829 179.053 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 125.175 1.39 . . . . 0.0 112.795 178.724 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.035 0 C-N-CA 128.057 2.741 . . . . 0.0 114.327 -178.561 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.271 2.23 0 C-N-CA 128.268 2.627 . . . . 0.0 111.557 -178.639 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 C-N-CA 117.566 -1.653 . . . . 0.0 107.41 179.451 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.098 0 CA-C-O 117.309 -1.329 . . . . 0.0 109.018 -179.906 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 N--CA 1.491 1.333 0 C-N-CA 122.853 2.369 . . . . 0.0 111.764 -179.333 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 332' ' ' ASN . . . . . . . . . . . . . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.249 1.038 0 O-C-N 118.604 -2.56 . . . . 0.0 115.701 -176.772 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.036 0 C-N-CA 126.627 1.971 . . . . 0.0 110.902 -178.686 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.952 0 C-N-CA 123.462 2.775 . . . . 0.0 115.454 178.504 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.684 0 CA-C-N 121.342 1.883 . . . . 0.0 113.454 177.987 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 124.964 1.306 . . . . 0.0 108.027 -179.981 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.827 0 C-N-CA 119.061 -1.056 . . . . 0.0 109.75 179.108 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.595 -0.691 . . . . 0.0 109.351 179.097 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 114.201 -1.363 . . . . 0.0 109.723 179.831 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-N 119.592 1.087 . . . . 0.0 111.972 -177.955 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.025 0 CA-C-O 117.118 -1.42 . . . . 0.0 111.851 -177.979 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 -178.949 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.472 0 CA-C-N 114.564 -1.198 . . . . 0.0 109.098 179.791 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-O 124.916 2.294 . . . . 0.0 109.445 178.34 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.056 0 CA-C-N 112.711 -2.04 . . . . 0.0 111.274 178.762 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 121.169 1.804 . . . . 0.0 112.742 179.889 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.337 0 CA-C-O 118.431 -0.795 . . . . 0.0 112.235 -176.254 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 O-C-N 124.053 0.845 . . . . 0.0 109.099 -179.301 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-O 115.231 -2.318 . . . . 0.0 110.893 -178.171 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.215 0 O-C-N 127.567 3.042 . . . . 0.0 111.049 178.975 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.803 0 C-N-CA 127.395 2.278 . . . . 0.0 113.762 -177.167 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 126.009 2.068 . . . . 0.0 112.164 -179.867 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.401 0 CA-C-N 121.352 1.887 . . . . 0.0 114.805 179.837 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.579 0 C-N-CA 124.786 1.235 . . . . 0.0 111.416 179.59 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 178.94 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 178.222 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.963 0 O-C-N 124.821 1.325 . . . . 0.0 109.991 -178.593 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 113.638 -1.619 . . . . 0.0 111.088 178.297 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 127.152 2.181 . . . . 0.0 112.555 -178.599 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 113.702 -1.59 . . . . 0.0 111.939 179.807 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-O 116.771 -1.585 . . . . 0.0 111.715 -178.312 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 126.494 2.371 . . . . 0.0 107.534 178.882 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 C--N 1.312 -1.044 0 C-N-CA 126.404 1.882 . . . . 0.0 113.168 179.207 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.668 -179.214 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.177 0 O-C-N 124.435 1.084 . . . . 0.0 108.241 178.122 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 116.528 -1.701 . . . . 0.0 112.091 179.025 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.257 1.478 0 N-CA-C 115.897 1.814 . . . . 0.0 115.897 -179.712 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 O-C-N 124.533 1.145 . . . . 0.0 111.125 -177.907 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.311 -1.104 0 O-C-N 125.442 1.714 . . . . 0.0 111.355 -178.662 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.043 0 C-N-CA 127.306 2.243 . . . . 0.0 107.432 179.128 . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 500' ' ' MXT . . . . . 0.619 ' O11' H222 ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 600' ' ' MXT . . . . . 0.673 H232 ' O12' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.743 ' H ' ' C11' ' A' ' 500' ' ' MXT . 0.0 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 1.189 ' N ' H122 ' A' ' 500' ' ' MXT . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.322 0 O-C-N 125.664 1.852 . . . . 0.0 106.872 171.18 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.77 1 O-C-N 129.165 4.245 . . . . 0.0 107.989 -176.609 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.929 0 CA-C-N 121.019 1.736 . . . . 0.0 112.64 -178.299 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.502 2.152 0 CA-C-N 114.245 -1.343 . . . . 0.0 110.916 -178.299 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.164 0 C-N-CA 127.013 2.125 . . . . 0.0 110.266 -177.767 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.454 0 O-C-N 120.873 -1.142 . . . . 0.0 109.868 178.793 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.583 0 N-CA-C 105.899 -1.889 . . . . 0.0 105.899 -177.562 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 127.139 2.774 . . . . 0.0 107.852 179.54 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.765 0 CA-C-O 115.434 -2.222 . . . . 0.0 106.468 177.766 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.555 1 O-C-N 130.64 4.962 . . . . 0.0 106.284 177.972 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.146 0 CA-C-O 113.704 -3.046 . . . . 0.0 105.884 -179.827 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.487 1.409 0 CA-C-N 121.165 1.802 . . . . 0.0 110.072 -177.783 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.783 0 O-C-N 125.924 2.015 . . . . 0.0 105.811 -176.636 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.254 1.311 0 O-C-N 127.537 3.023 . . . . 0.0 112.785 -176.367 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.267 1.983 0 O-C-N 127.245 2.841 . . . . 0.0 112.259 177.621 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 122.145 2.248 . . . . 0.0 111.907 -179.653 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--O 1.225 -0.211 0 O-C-N 126.631 2.457 . . . . 0.0 109.684 -174.85 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.713 0 C-N-CA 124.658 3.572 . . . . 0.0 111.946 179.706 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.852 0 CA-C-N 111.701 -2.5 . . . . 0.0 106.775 179.173 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.248 0 O-C-N 127.486 3.361 . . . . 0.0 107.907 179.003 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.502 0 C-N-CA 121.887 1.725 . . . . 0.0 108.314 178.88 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.594 0 O-C-N 127.071 2.732 . . . . 0.0 112.16 179.955 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -2.018 0 C-N-CA 126.789 2.036 . . . . 0.0 114.963 -174.495 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.57 1.717 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 175.02 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 124.907 1.379 . . . . 0.0 113.636 -175.795 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.407 0 CA-C-O 117.43 -1.271 . . . . 0.0 112.786 -179.406 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.253 1.248 0 CA-C-N 121.77 2.077 . . . . 0.0 114.952 179.62 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.311 -1.446 0 C-N-CA 122.177 1.918 . . . . 0.0 113.321 178.058 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.293 -1.88 0 C-N-CA 129.785 3.234 . . . . 0.0 112.252 178.898 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.041 0 O-C-N 119.455 -2.028 . . . . 0.0 109.539 178.006 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.559 1.301 0 CA-C-O 115.576 -2.154 . . . . 0.0 109.26 179.685 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 127.368 2.917 . . . . 0.0 109.387 179.601 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.217 0 O-C-N 120.314 -1.491 . . . . 0.0 112.922 177.125 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-O 122.029 0.918 . . . . 0.0 113.357 179.015 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.262 0 C-N-CA 126.511 1.924 . . . . 0.0 109.278 179.66 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.802 0 O-C-N 125.11 1.506 . . . . 0.0 110.262 175.867 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.144 0 C-N-CA 127.047 2.139 . . . . 0.0 114.614 178.781 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.022 0 CA-C-O 117.077 -1.957 . . . . 0.0 112.374 178.479 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 118.119 0.96 . . . . 0.0 108.503 179.262 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 176.112 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.935 0 C-N-CA 123.92 0.888 . . . . 0.0 112.88 -179.497 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.484 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 -175.535 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.31 -1.11 0 C-N-CA 125.029 1.332 . . . . 0.0 108.052 175.105 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 177.236 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.212 -0.908 0 CA-C-N 114.282 -1.327 . . . . 0.0 110.108 -179.918 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-O 115.953 -1.975 . . . . 0.0 112.331 178.801 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.558 0 C-N-CA 126.84 2.056 . . . . 0.0 116.549 -174.877 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.591 0 CA-C-O 122.724 1.249 . . . . 0.0 112.286 -178.915 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 122.404 2.069 . . . . 0.0 115.132 -179.542 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 107.478 -1.304 . . . . 0.0 107.478 177.633 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.443 0 N-CA-C 115.213 1.56 . . . . 0.0 115.213 178.311 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.121 0 O-C-N 118.35 -2.719 . . . . 0.0 114.656 -179.121 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.305 0 N-CA-C 115.997 1.851 . . . . 0.0 115.997 179.686 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.06 0 CA-C-N 120.254 1.126 . . . . 0.0 114.908 -179.657 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.263 1.025 . . . . 0.0 112.069 179.802 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 O-C-N 125.133 1.521 . . . . 0.0 111.458 -179.779 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.333 0 N-CA-C 116.885 2.18 . . . . 0.0 116.885 179.135 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 127.687 2.395 . . . . 0.0 115.528 -178.065 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.246 0.908 0 N-CA-C 117.094 2.257 . . . . 0.0 117.094 -178.54 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.482 -2.016 0 CA-C-O 115.663 -2.743 . . . . 0.0 118.849 177.648 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.96 0 CA-C-N 124.188 3.994 . . . . 0.0 111.394 179.685 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-O 115.661 -2.114 . . . . 0.0 106.268 177.505 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.302 -1.481 0 O-C-N 125.467 1.729 . . . . 0.0 107.628 -178.963 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.481 0 O-C-N 125.815 1.947 . . . . 0.0 111.504 -179.661 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-O 122.11 0.957 . . . . 0.0 110.707 179.447 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.057 0 N-CA-C 106.746 -1.576 . . . . 0.0 106.746 -179.895 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 2.0 0 O-C-N 126.005 2.065 . . . . 0.0 116.189 -179.8 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.792 0 CA-C-O 117.9 -1.047 . . . . 0.0 112.598 -178.267 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.485 1.936 0 N-CA-C 107.799 -2.121 . . . . 0.0 107.799 -178.396 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 125.307 2.48 . . . . 0.0 112.689 -177.851 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.246 0.882 0 CA-C-N 110.889 -2.868 . . . . 0.0 110.42 179.184 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -0.991 0 O-C-N 126.386 2.304 . . . . 0.0 105.384 176.656 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.417 0 N-CA-C 117.791 2.515 . . . . 0.0 117.791 -176.557 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.762 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 103.844 -2.651 . . . . 0.0 103.844 177.064 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 CA-C-N 112.033 -2.349 . . . . 0.0 108.003 -179.307 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.324 0 N-CA-C 118.561 2.184 . . . . 0.0 118.561 -178.272 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.243 0.724 0 O-C-N 121.461 -1.023 . . . . 0.0 112.239 -179.671 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.669 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -177.185 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.852 0 CA-C-O 124.215 1.96 . . . . 0.0 110.072 -179.821 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.916 0 CA-C-N 113.441 -1.709 . . . . 0.0 108.36 -178.35 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 C--N 1.318 -0.445 0 CA-C-N 114.051 -1.432 . . . . 0.0 110.205 179.277 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 124.873 0.984 . . . . 0.0 110.047 179.891 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.996 0 CA-C-N 114.358 -1.292 . . . . 0.0 109.365 179.312 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.484 1.238 0 O-C-N 124.504 1.128 . . . . 0.0 110.179 178.852 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.837 0 N-CA-C 119.098 2.399 . . . . 0.0 119.098 -179.687 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.822 0 O-C-N 120.894 -1.356 . . . . 0.0 109.08 179.509 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.307 -1.282 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 178.586 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.266 1.944 0 O-C-N 125.684 1.865 . . . . 0.0 110.228 179.121 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.388 0.613 . . . . 0.0 111.875 -179.135 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 115.7 -2.095 . . . . 0.0 108.781 -177.874 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.902 0 O-C-N 127.249 2.843 . . . . 0.0 110.372 178.74 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 117.717 -1.135 . . . . 0.0 109.596 -179.733 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 O-C-N 128.109 3.381 . . . . 0.0 112.856 -177.709 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.258 0 O-C-N 125.056 1.472 . . . . 0.0 111.769 -178.127 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 123.881 0.873 . . . . 0.0 110.246 178.214 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 118.03 2.604 . . . . 0.0 118.03 175.699 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.039 0 C-N-CA 124.06 0.944 . . . . 0.0 109.071 177.545 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 127.426 2.954 . . . . 0.0 111.365 -177.951 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.305 -1.362 0 C-N-CA 130.006 3.322 . . . . 0.0 108.973 178.326 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.934 0 O-C-N 126.725 2.516 . . . . 0.0 113.771 -178.142 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 115.284 1.586 . . . . 0.0 115.284 -178.408 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 124.709 1.256 . . . . 0.0 109.943 178.545 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.303 -1.433 0 C-N-CA 124.037 0.935 . . . . 0.0 109.196 179.029 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 123.482 0.713 . . . . 0.0 112.726 -178.498 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-O 117.026 -1.464 . . . . 0.0 110.957 -177.806 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 CA-C-O 116.745 -1.597 . . . . 0.0 110.694 -176.946 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.252 1.205 0 CA-C-N 119.607 1.094 . . . . 0.0 112.866 -178.892 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 124.966 1.306 . . . . 0.0 111.653 -178.456 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 124.998 1.436 . . . . 0.0 108.297 -179.553 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 126.523 2.389 . . . . 0.0 111.572 -178.924 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.249 1.035 0 C-N-CA 120.149 -0.621 . . . . 0.0 110.488 177.634 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 -177.751 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.503 0 C-N-CA 125.69 1.596 . . . . 0.0 111.233 177.392 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 C--O 1.243 0.692 0 O-C-N 121.293 -0.879 . . . . 0.0 114.259 -179.381 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.605 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 179.231 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.654 0 O-C-N 119.86 -1.775 . . . . 0.0 109.689 -179.313 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 116.352 1.982 . . . . 0.0 116.352 -176.917 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 125.238 1.586 . . . . 0.0 110.318 -176.647 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 112.547 -2.115 . . . . 0.0 108.312 176.027 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 N-CA-C 104.52 -2.4 . . . . 0.0 104.52 178.505 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 125.435 1.709 . . . . 0.0 108.313 -177.694 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.279 0 O-C-N 125.841 1.963 . . . . 0.0 110.96 -175.513 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.474 -2.491 0 O-C-N 126.334 2.755 . . . . 0.0 115.1 -176.557 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.55 0 O-C-N 120.385 -1.447 . . . . 0.0 113.796 177.677 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.378 0 N-CA-C 115.601 1.704 . . . . 0.0 115.601 -176.973 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.263 1.81 0 CA-C-O 115.093 -2.384 . . . . 0.0 112.799 -178.708 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.649 0 CA-C-N 120.931 1.696 . . . . 0.0 114.821 -178.014 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.311 -1.072 0 C-N-CA 127.038 2.135 . . . . 0.0 111.18 -179.546 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 O-C-N 126.279 2.237 . . . . 0.0 110.436 -179.71 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 125.367 1.467 . . . . 0.0 107.045 177.927 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.74 0 C-N-CA 126.629 1.972 . . . . 0.0 112.551 179.041 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.183 0 CA-C-N 113.195 -1.82 . . . . 0.0 111.405 -177.685 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.309 -1.181 0 C-N-CA 123.87 0.868 . . . . 0.0 113.118 -179.11 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 104.168 -2.531 . . . . 0.0 104.168 177.439 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 104.781 -2.303 . . . . 0.0 104.781 178.709 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 128.493 3.62 . . . . 0.0 117.019 -175.649 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.584 4.371 0 N-CA-C 105.313 -3.115 . . . . 0.0 105.313 177.115 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.273 2.308 0 O-C-N 128.554 3.149 . . . . 0.0 106.522 179.804 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.244 0.793 0 C-N-CA 118.885 -1.126 . . . . 0.0 112.721 -177.639 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.78 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 177.57 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.816 0 CA-C-O 122.477 1.132 . . . . 0.0 108.101 176.427 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 121.456 1.438 . . . . 0.0 111.882 -179.718 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 177.05 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 105.319 -2.104 . . . . 0.0 105.319 177.497 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 122.79 1.281 . . . . 0.0 110.101 -176.95 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.166 0 CA-C-N 112.671 -2.058 . . . . 0.0 112.796 179.653 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.204 0 CA-C-N 118.188 0.994 . . . . 0.0 110.719 179.993 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.928 0 O-C-N 123.495 1.261 . . . . 0.0 111.601 177.232 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 103.147 -2.908 . . . . 0.0 103.147 178.672 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.328 0 O-C-N 126.92 2.637 . . . . 0.0 112.2 -178.793 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.719 0 N-CA-C 107.577 -1.74 . . . . 0.0 107.577 -179.23 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.955 0 O-C-N 128.092 3.37 . . . . 0.0 103.001 179.64 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.266 1.957 0 CA-C-O 116.052 -1.928 . . . . 0.0 108.763 -179.805 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.817 0 N-CA-C 104.071 -3.612 . . . . 0.0 104.071 179.64 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.509 0 CA-C-O 115.705 -2.093 . . . . 0.0 109.508 -178.364 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.748 0 N-CA-C 103.712 -2.699 . . . . 0.0 103.712 -179.42 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.059 0 O-C-N 127.769 3.168 . . . . 0.0 113.5 -177.163 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 106.346 -1.724 . . . . 0.0 106.346 -178.392 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.953 0 O-C-N 126.24 2.212 . . . . 0.0 107.601 -178.965 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.437 -2.214 . . . . 0.0 110.271 -177.055 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.297 0 N-CA-C 100.656 -3.831 . . . . 0.0 100.656 -178.722 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.31 0 CA-C-O 115.278 -2.051 . . . . 0.0 112.122 179.422 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.272 -2.798 0 CA-C-N 120.68 1.582 . . . . 0.0 109.59 177.823 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.274 2.388 0 CA-C-N 112.756 -2.02 . . . . 0.0 110.58 178.338 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.432 -1.326 0 O-C-N 120.913 -1.117 . . . . 0.0 110.448 178.572 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.145 0 O-C-N 125.782 1.926 . . . . 0.0 110.275 -178.374 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.091 0 O-C-N 127.045 2.716 . . . . 0.0 107.024 178.965 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.6 0 CA-C-O 122.209 1.004 . . . . 0.0 112.937 177.921 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.442 -0.865 0 O-C-N 117.495 -3.253 . . . . 0.0 114.612 179.635 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.82 0 O-C-N 125.637 1.836 . . . . 0.0 108.179 179.482 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.299 -1.62 1 O-C-N 129.332 4.145 . . . . 0.0 109.769 179.183 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 120.072 -1.642 . . . . 0.0 111.892 179.05 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.302 -1.473 0 C-N-CA 125.05 1.34 . . . . 0.0 112.784 178.728 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.29 -2.012 0 C-N-CA 127.976 2.703 . . . . 0.0 114.279 -179.572 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.273 2.312 0 C-N-CA 128.255 2.622 . . . . 0.0 111.486 -178.621 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 C-N-CA 117.606 -1.637 . . . . 0.0 107.399 -179.922 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.094 0 CA-C-O 117.276 -1.345 . . . . 0.0 108.997 -179.981 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.314 -1.287 0 C-N-CA 122.868 2.379 . . . . 0.0 111.764 179.843 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 332' ' ' ASN . . . . . . . . . . . . . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.01 0 O-C-N 118.702 -2.499 . . . . 0.0 115.671 -177.175 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.054 0 C-N-CA 126.638 1.975 . . . . 0.0 110.923 -179.44 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.972 0 C-N-CA 123.432 2.755 . . . . 0.0 115.501 177.884 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-N 121.309 1.868 . . . . 0.0 113.46 177.99 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 124.965 1.306 . . . . 0.0 107.998 179.989 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.854 0 C-N-CA 119.057 -1.057 . . . . 0.0 109.711 179.162 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.581 -0.699 . . . . 0.0 109.254 179.144 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 C--O 1.243 0.746 0 CA-C-N 114.253 -1.339 . . . . 0.0 109.749 179.853 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-N 119.538 1.063 . . . . 0.0 111.955 -177.968 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 117.104 -1.427 . . . . 0.0 111.842 -178.021 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 -178.899 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.463 0 CA-C-N 114.553 -1.203 . . . . 0.0 109.187 179.73 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-O 124.856 2.265 . . . . 0.0 109.411 178.327 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.048 0 CA-C-N 112.734 -2.03 . . . . 0.0 111.277 178.794 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-N 121.143 1.792 . . . . 0.0 112.738 179.892 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.295 0 CA-C-O 118.481 -0.771 . . . . 0.0 112.278 -176.297 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 O-C-N 124.045 0.84 . . . . 0.0 109.143 -179.332 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-O 115.252 -2.308 . . . . 0.0 110.935 -178.157 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.209 0 O-C-N 127.571 3.044 . . . . 0.0 111.04 178.943 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.294 -1.812 0 C-N-CA 127.433 2.293 . . . . 0.0 113.787 -177.201 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 125.956 2.035 . . . . 0.0 112.244 -179.948 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.385 0 CA-C-N 121.281 1.855 . . . . 0.0 114.818 179.85 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.587 0 C-N-CA 124.763 1.225 . . . . 0.0 111.449 179.56 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 107.126 -1.435 . . . . 0.0 107.126 178.928 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.237 0 N-CA-C 107.286 -1.375 . . . . 0.0 107.286 178.227 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 O-C-N 124.815 1.322 . . . . 0.0 110.036 -178.665 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-N 113.63 -1.623 . . . . 0.0 111.073 178.315 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.503 0 C-N-CA 127.111 2.164 . . . . 0.0 112.549 -178.543 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 113.697 -1.592 . . . . 0.0 111.97 179.768 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-O 116.765 -1.588 . . . . 0.0 111.649 -178.273 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 126.467 2.354 . . . . 0.0 107.528 178.909 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 C--N 1.312 -1.049 0 C-N-CA 126.444 1.898 . . . . 0.0 113.142 179.222 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.659 -179.213 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.18 0 O-C-N 124.441 1.088 . . . . 0.0 108.217 178.153 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 116.622 -1.656 . . . . 0.0 112.081 179.069 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.506 0 N-CA-C 115.882 1.808 . . . . 0.0 115.882 -179.722 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 O-C-N 124.489 1.118 . . . . 0.0 111.134 -177.911 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.309 -1.155 0 O-C-N 125.456 1.722 . . . . 0.0 111.334 -178.697 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.093 0 C-N-CA 127.308 2.243 . . . . 0.0 107.418 179.139 . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 500' ' ' MXT . . . . . 1.189 H122 ' N ' ' A' ' 42' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 600' ' ' MXT . . . . . 0.87 H232 ' O11' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.456 ' SG ' ' O ' ' A' ' 41' ' ' CYS . 0.5 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.288 0 O-C-N 125.664 1.852 . . . . 0.0 106.879 167.018 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.753 1 O-C-N 129.204 4.265 . . . . 0.0 108.011 -174.418 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.943 0 CA-C-N 121.046 1.748 . . . . 0.0 112.642 -178.291 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.177 0 CA-C-N 114.201 -1.363 . . . . 0.0 110.925 -176.646 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 C-N-CA 127.037 2.135 . . . . 0.0 110.289 -177.036 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.256 1.432 0 O-C-N 120.818 -1.176 . . . . 0.0 109.829 177.297 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.589 0 N-CA-C 105.974 -1.862 . . . . 0.0 105.974 -177.247 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 127.182 2.802 . . . . 0.0 107.837 177.706 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.758 0 CA-C-O 115.504 -2.188 . . . . 0.0 106.434 -179.74 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.535 1 O-C-N 130.614 4.946 . . . . 0.0 106.293 176.974 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 CA-C-O 113.757 -3.021 . . . . 0.0 105.841 -179.808 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-N 121.14 1.791 . . . . 0.0 110.052 -177.834 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 125.868 1.98 . . . . 0.0 105.801 -176.572 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.372 0 O-C-N 127.484 2.99 . . . . 0.0 112.754 -176.359 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.969 0 O-C-N 127.191 2.807 . . . . 0.0 112.294 177.613 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 122.167 2.258 . . . . 0.0 111.854 -179.602 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.331 -0.222 0 O-C-N 126.651 2.47 . . . . 0.0 109.717 -174.877 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.722 0 C-N-CA 124.626 3.551 . . . . 0.0 111.972 179.689 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.475 0.822 0 CA-C-N 111.722 -2.49 . . . . 0.0 106.768 179.124 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.315 -1.22 0 O-C-N 127.584 3.413 . . . . 0.0 107.893 178.996 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.329 -0.496 0 C-N-CA 121.841 1.694 . . . . 0.0 108.288 178.863 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.582 0 O-C-N 127.074 2.734 . . . . 0.0 112.156 179.958 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.986 0 C-N-CA 126.749 2.019 . . . . 0.0 114.908 -174.501 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.705 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 175.016 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 124.944 1.403 . . . . 0.0 113.62 -175.773 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.255 1.392 0 CA-C-O 117.403 -1.284 . . . . 0.0 112.803 -179.417 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.33 0 CA-C-N 121.695 2.043 . . . . 0.0 114.943 179.625 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.459 0 C-N-CA 122.214 1.943 . . . . 0.0 113.296 178.075 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.292 -1.9 0 C-N-CA 129.761 3.225 . . . . 0.0 112.27 178.903 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.311 -1.068 0 O-C-N 119.48 -2.012 . . . . 0.0 109.527 177.968 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.342 0 CA-C-O 115.561 -2.161 . . . . 0.0 109.236 179.774 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 127.439 2.962 . . . . 0.0 109.443 179.545 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.216 0 O-C-N 120.287 -1.508 . . . . 0.0 112.873 177.177 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-O 122.0 0.905 . . . . 0.0 113.327 179.01 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.264 0 C-N-CA 126.472 1.909 . . . . 0.0 109.297 179.732 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 125.061 1.476 . . . . 0.0 110.254 175.827 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.149 0 C-N-CA 127.048 2.139 . . . . 0.0 114.589 178.828 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 1.973 0 CA-C-O 117.092 -1.949 . . . . 0.0 112.33 178.449 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-N 118.164 0.982 . . . . 0.0 108.516 179.249 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 176.003 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.931 0 C-N-CA 123.951 0.9 . . . . 0.0 112.892 -179.496 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.474 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 -175.51 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.31 -1.121 0 C-N-CA 125.07 1.348 . . . . 0.0 108.149 175.071 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 177.224 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.212 -0.911 0 CA-C-N 114.312 -1.313 . . . . 0.0 110.088 -179.905 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-O 115.992 -1.956 . . . . 0.0 112.309 178.839 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.561 0 N-CA-C 116.542 2.052 . . . . 0.0 116.542 -174.866 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.594 0 CA-C-O 122.762 1.268 . . . . 0.0 112.31 -178.941 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 122.367 2.045 . . . . 0.0 115.135 -179.554 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 107.472 -1.306 . . . . 0.0 107.472 177.67 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.442 0 N-CA-C 115.176 1.547 . . . . 0.0 115.176 178.324 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.497 -1.094 0 O-C-N 118.343 -2.723 . . . . 0.0 114.651 -179.065 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.301 0 N-CA-C 115.949 1.833 . . . . 0.0 115.949 179.701 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.075 0 CA-C-N 120.255 1.127 . . . . 0.0 114.868 -179.596 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.274 1.029 . . . . 0.0 112.001 179.853 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 O-C-N 125.062 1.476 . . . . 0.0 111.477 -179.747 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.295 0 N-CA-C 116.922 2.193 . . . . 0.0 116.922 179.148 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 127.647 2.379 . . . . 0.0 115.53 -178.083 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.246 0.873 0 N-CA-C 117.138 2.273 . . . . 0.0 117.138 -178.565 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.482 -2.026 0 CA-C-O 115.715 -2.714 . . . . 0.0 118.86 177.671 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.961 0 CA-C-N 124.153 3.976 . . . . 0.0 111.367 179.765 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-O 115.62 -2.133 . . . . 0.0 106.291 177.554 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.302 -1.483 0 O-C-N 125.497 1.748 . . . . 0.0 107.627 -178.94 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.45 0 O-C-N 125.769 1.918 . . . . 0.0 111.459 -179.641 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-O 122.086 0.946 . . . . 0.0 110.737 179.367 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.069 0 N-CA-C 106.738 -1.579 . . . . 0.0 106.738 -179.91 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 1.976 0 O-C-N 126.034 2.084 . . . . 0.0 116.232 -179.822 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.8 0 CA-C-O 117.935 -1.031 . . . . 0.0 112.617 -178.227 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.485 1.948 0 N-CA-C 107.817 -2.113 . . . . 0.0 107.817 -178.377 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 125.324 2.488 . . . . 0.0 112.697 -177.88 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.246 0.874 0 CA-C-N 110.884 -2.871 . . . . 0.0 110.46 179.165 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -0.98 0 O-C-N 126.353 2.283 . . . . 0.0 105.409 176.664 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.407 0 N-CA-C 117.779 2.511 . . . . 0.0 117.779 -176.507 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 178.796 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 103.824 -2.658 . . . . 0.0 103.824 177.08 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 CA-C-N 112.002 -2.363 . . . . 0.0 108.034 -179.363 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.3 0 N-CA-C 118.515 2.166 . . . . 0.0 118.515 -178.208 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.241 0.658 0 O-C-N 121.443 -1.033 . . . . 0.0 112.258 -179.684 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.686 0 O-C-N 123.656 0.598 . . . . 0.0 112.596 -177.127 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.842 0 CA-C-O 124.236 1.969 . . . . 0.0 110.07 -179.805 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.891 0 CA-C-N 113.455 -1.702 . . . . 0.0 108.363 -178.371 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.464 0.516 0 CA-C-N 114.009 -1.45 . . . . 0.0 110.182 179.277 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 124.781 0.93 . . . . 0.0 110.007 179.95 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.247 0.969 0 CA-C-N 114.39 -1.277 . . . . 0.0 109.329 179.339 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.187 0 O-C-N 124.535 1.147 . . . . 0.0 110.196 178.842 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.86 0 N-CA-C 119.095 2.398 . . . . 0.0 119.095 -179.673 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.842 0 O-C-N 120.877 -1.367 . . . . 0.0 109.104 179.453 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 178.626 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.266 1.931 0 O-C-N 125.695 1.872 . . . . 0.0 110.253 179.13 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.367 0.603 . . . . 0.0 111.896 -179.137 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 115.721 -2.085 . . . . 0.0 108.828 -177.946 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.893 0 O-C-N 127.248 2.842 . . . . 0.0 110.357 178.719 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-O 117.672 -1.156 . . . . 0.0 109.577 -179.705 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 O-C-N 128.174 3.421 . . . . 0.0 112.872 -177.742 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.252 1.226 0 O-C-N 125.085 1.491 . . . . 0.0 111.758 -178.092 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 123.843 0.857 . . . . 0.0 110.181 178.275 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.292 -1.927 0 N-CA-C 118.06 2.615 . . . . 0.0 118.06 175.686 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.045 0 C-N-CA 124.093 0.957 . . . . 0.0 109.102 177.524 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 127.435 2.959 . . . . 0.0 111.35 -177.956 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.305 -1.367 0 C-N-CA 130.0 3.32 . . . . 0.0 109.016 178.285 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.935 0 O-C-N 126.728 2.518 . . . . 0.0 113.76 -178.12 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 115.28 1.585 . . . . 0.0 115.28 -178.391 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 124.718 1.261 . . . . 0.0 109.922 178.585 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.401 0 C-N-CA 124.013 0.925 . . . . 0.0 109.16 179.057 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.878 0 C-N-CA 123.478 0.711 . . . . 0.0 112.71 -178.48 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-O 116.985 -1.483 . . . . 0.0 110.979 -177.784 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 CA-C-O 116.758 -1.591 . . . . 0.0 110.708 -176.97 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.16 0 CA-C-N 119.554 1.07 . . . . 0.0 112.873 -178.924 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 124.952 1.301 . . . . 0.0 111.718 -178.515 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 125.029 1.456 . . . . 0.0 108.28 -179.578 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 126.505 2.378 . . . . 0.0 111.592 -178.931 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.008 0 C-N-CA 120.201 -0.599 . . . . 0.0 110.479 177.601 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -177.746 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 125.647 1.579 . . . . 0.0 111.308 177.351 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.466 0.683 0 O-C-N 121.355 -0.841 . . . . 0.0 114.253 -179.401 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.623 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 179.242 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 119.786 -1.821 . . . . 0.0 109.662 -179.344 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.442 -0.869 0 N-CA-C 116.335 1.976 . . . . 0.0 116.335 -176.968 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 125.242 1.589 . . . . 0.0 110.335 -176.629 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 112.532 -2.122 . . . . 0.0 108.361 176.028 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 N-CA-C 104.489 -2.412 . . . . 0.0 104.489 178.502 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 125.376 1.673 . . . . 0.0 108.235 -177.687 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 N--CA 1.474 1.223 0 O-C-N 125.834 1.959 . . . . 0.0 110.995 -175.574 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.465 0 O-C-N 126.243 2.707 . . . . 0.0 115.023 -176.5 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.259 1.569 0 O-C-N 120.426 -1.421 . . . . 0.0 113.776 177.699 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.363 0 N-CA-C 115.567 1.692 . . . . 0.0 115.567 -176.935 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.264 1.829 0 CA-C-O 115.114 -2.374 . . . . 0.0 112.802 -178.687 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.261 1.689 0 CA-C-N 120.894 1.679 . . . . 0.0 114.864 -178.051 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.311 -1.072 0 C-N-CA 127.044 2.138 . . . . 0.0 111.191 -179.563 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 O-C-N 126.253 2.22 . . . . 0.0 110.434 -179.715 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 125.326 1.45 . . . . 0.0 107.099 177.878 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.744 0 C-N-CA 126.545 1.938 . . . . 0.0 112.633 178.98 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.179 0 CA-C-N 113.214 -1.812 . . . . 0.0 111.377 -177.682 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.144 0 C-N-CA 123.856 0.862 . . . . 0.0 113.198 -179.049 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 104.185 -2.524 . . . . 0.0 104.185 177.429 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 104.861 -2.274 . . . . 0.0 104.861 178.65 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 128.552 3.657 . . . . 0.0 117.019 -175.619 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.582 4.278 0 N-CA-C 105.359 -3.096 . . . . 0.0 105.359 177.058 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.36 0 O-C-N 128.446 3.086 . . . . 0.0 106.497 179.812 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.831 0 C-N-CA 118.975 -1.09 . . . . 0.0 112.754 -177.638 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.791 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 177.545 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.857 0 CA-C-O 122.44 1.114 . . . . 0.0 108.067 176.466 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 121.482 1.455 . . . . 0.0 111.826 -179.688 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 177.001 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 105.3 -2.111 . . . . 0.0 105.3 177.514 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 122.774 1.273 . . . . 0.0 110.063 -176.954 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.168 0 CA-C-N 112.691 -2.049 . . . . 0.0 112.768 179.68 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.309 -1.195 0 CA-C-N 118.212 1.006 . . . . 0.0 110.78 179.75 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.914 0 O-C-N 123.522 1.275 . . . . 0.0 111.666 177.382 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 103.187 -2.894 . . . . 0.0 103.187 178.552 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.306 -1.31 0 O-C-N 126.891 2.619 . . . . 0.0 112.215 -178.766 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.7 0 N-CA-C 107.542 -1.753 . . . . 0.0 107.542 -179.803 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.975 0 O-C-N 128.103 3.377 . . . . 0.0 102.979 179.668 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.975 0 CA-C-O 116.037 -1.935 . . . . 0.0 108.778 179.764 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.841 0 N-CA-C 104.033 -3.627 . . . . 0.0 104.033 -179.163 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.504 0 CA-C-O 115.72 -2.086 . . . . 0.0 109.487 -178.337 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.733 0 N-CA-C 103.717 -2.698 . . . . 0.0 103.717 -179.255 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.065 0 O-C-N 127.726 3.141 . . . . 0.0 113.481 -179.31 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 106.334 -1.728 . . . . 0.0 106.334 -177.839 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.959 0 O-C-N 126.286 2.241 . . . . 0.0 107.591 -179.389 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.289 -2.3 . . . . 0.0 110.271 -177.527 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.314 0 N-CA-C 100.648 -3.834 . . . . 0.0 100.648 -173.887 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.445 -1.34 0 CA-C-O 115.259 -2.059 . . . . 0.0 112.105 175.973 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.272 -2.791 0 CA-C-N 120.715 1.598 . . . . 0.0 109.577 177.812 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.438 0 CA-C-N 112.847 -1.979 . . . . 0.0 110.612 178.299 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.434 -1.264 0 O-C-N 120.926 -1.109 . . . . 0.0 110.399 178.55 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.556 1.191 0 O-C-N 125.79 1.931 . . . . 0.0 110.241 -178.334 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.289 -2.048 0 O-C-N 127.063 2.727 . . . . 0.0 107.076 178.955 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.484 -1.585 0 CA-C-O 122.176 0.989 . . . . 0.0 112.943 177.897 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.914 0 O-C-N 117.517 -3.239 . . . . 0.0 114.648 179.606 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.573 1.83 0 O-C-N 125.611 1.819 . . . . 0.0 108.122 179.496 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.299 -1.598 1 O-C-N 129.284 4.115 . . . . 0.0 109.74 179.218 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 120.028 -1.67 . . . . 0.0 111.836 179.082 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 125.079 1.352 . . . . 0.0 112.819 178.681 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.29 -2.006 0 C-N-CA 127.963 2.697 . . . . 0.0 114.314 -179.183 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.273 0 C-N-CA 128.269 2.628 . . . . 0.0 111.522 -177.211 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 C-N-CA 117.604 -1.639 . . . . 0.0 107.379 178.983 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.287 -2.128 0 CA-C-O 117.288 -1.339 . . . . 0.0 109.022 -179.484 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 N--CA 1.49 1.307 0 C-N-CA 122.885 2.39 . . . . 0.0 111.774 179.039 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 332' ' ' ASN . . . . . . . . . . . . . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.017 0 O-C-N 118.669 -2.519 . . . . 0.0 115.698 -177.78 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.051 0 C-N-CA 126.602 1.961 . . . . 0.0 110.901 179.715 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.506 -0.918 0 C-N-CA 123.43 2.753 . . . . 0.0 115.491 178.28 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-N 121.281 1.855 . . . . 0.0 113.48 178.058 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 124.968 1.307 . . . . 0.0 108.005 179.985 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.244 0.804 0 C-N-CA 119.025 -1.07 . . . . 0.0 109.801 179.086 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.586 -0.696 . . . . 0.0 109.31 179.104 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 114.222 -1.354 . . . . 0.0 109.729 179.848 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 119.565 1.075 . . . . 0.0 111.958 -177.995 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-O 117.037 -1.459 . . . . 0.0 111.84 -177.982 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 -178.936 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.462 0 CA-C-N 114.608 -1.178 . . . . 0.0 109.155 179.755 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-O 124.887 2.28 . . . . 0.0 109.412 178.32 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.042 0 CA-C-N 112.729 -2.032 . . . . 0.0 111.284 178.817 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.721 0 CA-C-N 121.17 1.804 . . . . 0.0 112.769 179.858 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.253 1.272 0 CA-C-O 118.493 -0.765 . . . . 0.0 112.281 -176.303 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 O-C-N 124.066 0.854 . . . . 0.0 109.123 -179.329 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-O 115.212 -2.328 . . . . 0.0 110.87 -178.131 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.21 0 O-C-N 127.62 3.075 . . . . 0.0 111.026 179.012 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.793 0 C-N-CA 127.404 2.282 . . . . 0.0 113.782 -177.149 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 125.935 2.022 . . . . 0.0 112.126 -179.878 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.347 0 CA-C-N 121.349 1.886 . . . . 0.0 114.858 179.9 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.26 1.613 0 C-N-CA 124.79 1.236 . . . . 0.0 111.428 179.549 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 178.932 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.238 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 178.257 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 O-C-N 124.843 1.339 . . . . 0.0 109.997 -178.654 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.348 0 CA-C-N 113.658 -1.61 . . . . 0.0 111.069 178.316 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.302 -1.494 0 C-N-CA 127.115 2.166 . . . . 0.0 112.507 -178.503 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 113.707 -1.588 . . . . 0.0 111.983 179.767 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.688 0 CA-C-O 116.786 -1.578 . . . . 0.0 111.704 -178.281 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 126.522 2.389 . . . . 0.0 107.578 178.844 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.056 0 C-N-CA 126.399 1.879 . . . . 0.0 113.126 179.265 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.633 -179.202 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-O 122.345 1.069 . . . . 0.0 108.213 178.119 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-O 116.576 -1.678 . . . . 0.0 112.117 179.073 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.501 0 N-CA-C 115.941 1.83 . . . . 0.0 115.941 -179.774 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 O-C-N 124.471 1.107 . . . . 0.0 111.094 -177.94 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.151 0 O-C-N 125.443 1.714 . . . . 0.0 111.334 -178.633 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.07 0 C-N-CA 127.293 2.237 . . . . 0.0 107.417 179.164 . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' A' A ' 500' ' ' MXT . . . . . 0.552 H222 ' O11' ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 600' ' ' MXT . . . . . 0.865 H232 ' O11' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.554 ' CA ' H121 ' A' ' 500' ' ' MXT . 0.0 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 1.087 ' H ' H121 ' A' ' 500' ' ' MXT . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.506 2.331 0 O-C-N 125.664 1.852 . . . . 0.0 106.831 168.529 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.74 1 O-C-N 129.217 4.272 . . . . 0.0 107.989 -172.063 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.948 0 CA-C-N 121.029 1.74 . . . . 0.0 112.622 179.681 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.18 0 CA-C-N 114.235 -1.348 . . . . 0.0 110.972 177.844 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.192 0 C-N-CA 126.988 2.115 . . . . 0.0 110.222 -177.401 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.462 0 O-C-N 120.886 -1.134 . . . . 0.0 109.846 -176.346 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.599 0 N-CA-C 105.952 -1.87 . . . . 0.0 105.952 -177.949 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 127.171 2.795 . . . . 0.0 107.799 -179.025 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.772 0 CA-C-O 115.432 -2.223 . . . . 0.0 106.456 178.083 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.554 1 O-C-N 130.648 4.968 . . . . 0.0 106.295 178.868 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.174 0 CA-C-O 113.719 -3.038 . . . . 0.0 105.877 -179.857 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-N 121.108 1.777 . . . . 0.0 110.037 -177.796 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 125.868 1.98 . . . . 0.0 105.794 -176.573 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.35 0 O-C-N 127.488 2.992 . . . . 0.0 112.729 -176.36 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.956 0 O-C-N 127.247 2.842 . . . . 0.0 112.248 177.625 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.914 0 O-C-N 119.035 -2.291 . . . . 0.0 111.877 -179.657 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.332 -0.193 0 O-C-N 126.666 2.478 . . . . 0.0 109.679 -174.875 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.716 0 C-N-CA 124.719 3.612 . . . . 0.0 111.906 179.733 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.477 0.882 0 CA-C-N 111.747 -2.479 . . . . 0.0 106.753 179.144 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.313 -1.293 0 O-C-N 127.529 3.383 . . . . 0.0 107.914 178.998 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.505 0 C-N-CA 121.833 1.688 . . . . 0.0 108.303 178.872 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.623 0 O-C-N 127.066 2.729 . . . . 0.0 112.157 179.938 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.995 0 C-N-CA 126.767 2.027 . . . . 0.0 114.9 -174.431 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.708 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 175.026 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 124.895 1.372 . . . . 0.0 113.634 -175.766 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.257 1.472 0 CA-C-O 117.382 -1.295 . . . . 0.0 112.77 -179.446 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.292 0 CA-C-N 121.807 2.094 . . . . 0.0 114.958 179.597 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.46 0 C-N-CA 122.118 1.879 . . . . 0.0 113.373 178.054 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.292 -1.897 0 C-N-CA 129.797 3.239 . . . . 0.0 112.237 178.908 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.05 0 O-C-N 119.348 -2.095 . . . . 0.0 109.572 177.923 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.359 0 CA-C-O 115.522 -2.18 . . . . 0.0 109.199 179.76 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 127.434 2.959 . . . . 0.0 109.391 179.579 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.213 0 O-C-N 120.27 -1.519 . . . . 0.0 112.887 177.19 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 122.04 0.924 . . . . 0.0 113.352 179.027 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.249 0 C-N-CA 126.437 1.895 . . . . 0.0 109.279 179.693 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 125.11 1.506 . . . . 0.0 110.244 175.894 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.167 0 C-N-CA 127.058 2.143 . . . . 0.0 114.552 178.827 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.004 0 CA-C-O 117.127 -1.93 . . . . 0.0 112.382 178.469 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-N 118.126 0.963 . . . . 0.0 108.477 179.273 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 176.023 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.929 0 C-N-CA 123.968 0.907 . . . . 0.0 112.871 -179.504 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.256 1.44 0 N-CA-C 114.976 1.473 . . . . 0.0 114.976 -175.52 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.107 0 C-N-CA 125.022 1.329 . . . . 0.0 108.097 175.052 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 107.896 -1.149 . . . . 0.0 107.896 177.254 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.935 0 CA-C-N 114.285 -1.325 . . . . 0.0 110.063 -179.881 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-O 115.974 -1.965 . . . . 0.0 112.347 178.763 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.576 0 N-CA-C 116.546 2.054 . . . . 0.0 116.546 -174.901 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.614 0 CA-C-O 122.723 1.249 . . . . 0.0 112.354 -178.978 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.448 -1.194 0 C-N-CA 122.357 2.038 . . . . 0.0 115.109 -179.554 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 107.417 -1.327 . . . . 0.0 107.417 177.681 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.412 0 N-CA-C 115.178 1.548 . . . . 0.0 115.178 178.358 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.118 0 O-C-N 118.338 -2.726 . . . . 0.0 114.611 -179.083 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.319 0 N-CA-C 115.964 1.839 . . . . 0.0 115.964 179.72 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.063 0 CA-C-N 120.303 1.144 . . . . 0.0 114.9 -179.628 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.249 1.02 . . . . 0.0 112.015 179.823 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 O-C-N 125.084 1.49 . . . . 0.0 111.457 -179.703 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.255 1.351 0 N-CA-C 116.884 2.179 . . . . 0.0 116.884 179.158 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 127.677 2.391 . . . . 0.0 115.56 -178.111 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.842 0 N-CA-C 117.102 2.26 . . . . 0.0 117.102 -178.511 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.065 0 CA-C-O 115.644 -2.753 . . . . 0.0 118.847 177.66 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.29 -2.001 0 CA-C-N 124.193 3.996 . . . . 0.0 111.315 179.755 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-O 115.605 -2.141 . . . . 0.0 106.276 177.505 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.502 0 O-C-N 125.52 1.763 . . . . 0.0 107.624 -178.933 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.459 0 O-C-N 125.801 1.938 . . . . 0.0 111.445 -179.642 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-O 122.07 0.938 . . . . 0.0 110.705 179.412 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.038 0 N-CA-C 106.711 -1.588 . . . . 0.0 106.711 -179.889 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.266 1.949 0 O-C-N 126.02 2.075 . . . . 0.0 116.193 -179.833 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.813 0 CA-C-O 117.966 -1.016 . . . . 0.0 112.616 -178.29 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 2.015 0 N-CA-C 107.807 -2.117 . . . . 0.0 107.807 -178.388 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 125.341 2.496 . . . . 0.0 112.617 -177.805 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.863 0 CA-C-N 110.891 -2.868 . . . . 0.0 110.412 179.219 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -1.019 0 O-C-N 126.347 2.279 . . . . 0.0 105.415 176.633 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.393 0 N-CA-C 117.81 2.522 . . . . 0.0 117.81 -176.564 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 178.829 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 103.809 -2.663 . . . . 0.0 103.809 177.046 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 CA-C-N 112.017 -2.356 . . . . 0.0 108.002 -179.321 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.308 0 N-CA-C 118.557 2.183 . . . . 0.0 118.557 -178.251 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.243 0.73 0 O-C-N 121.415 -1.05 . . . . 0.0 112.23 -179.65 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.63 0 N-CA-C 112.605 0.595 . . . . 0.0 112.605 -177.173 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.838 0 CA-C-O 124.264 1.983 . . . . 0.0 110.089 -179.828 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.245 0.866 0 CA-C-N 113.446 -1.706 . . . . 0.0 108.43 -178.401 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 C--N 1.318 -0.423 0 CA-C-N 114.005 -1.452 . . . . 0.0 110.197 179.297 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 124.854 0.973 . . . . 0.0 110.003 179.904 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.247 0.955 0 CA-C-N 114.404 -1.271 . . . . 0.0 109.353 179.309 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.18 0 O-C-N 124.52 1.137 . . . . 0.0 110.203 178.862 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.852 0 N-CA-C 119.021 2.368 . . . . 0.0 119.021 -179.66 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.214 -0.815 0 O-C-N 120.912 -1.346 . . . . 0.0 109.107 179.506 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 178.604 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.898 0 O-C-N 125.644 1.84 . . . . 0.0 110.248 179.11 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.295 0.569 . . . . 0.0 111.908 -179.18 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 115.768 -2.063 . . . . 0.0 108.84 -177.948 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.906 0 O-C-N 127.275 2.86 . . . . 0.0 110.382 178.695 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-O 117.667 -1.158 . . . . 0.0 109.569 -179.677 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 O-C-N 128.124 3.39 . . . . 0.0 112.86 -177.713 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.264 0 O-C-N 125.078 1.486 . . . . 0.0 111.735 -178.096 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 123.901 0.88 . . . . 0.0 110.182 178.303 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.964 0 N-CA-C 118.05 2.611 . . . . 0.0 118.05 175.711 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.03 0 C-N-CA 124.056 0.942 . . . . 0.0 109.066 177.511 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 127.428 2.955 . . . . 0.0 111.395 -177.969 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.402 0 C-N-CA 130.012 3.325 . . . . 0.0 109.007 178.338 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.951 0 O-C-N 126.818 2.573 . . . . 0.0 113.742 -178.071 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 115.275 1.583 . . . . 0.0 115.275 -178.468 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 124.737 1.273 . . . . 0.0 109.964 178.507 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 123.988 0.915 . . . . 0.0 109.186 179.02 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 123.489 0.715 . . . . 0.0 112.731 -178.446 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 2.1 p -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-O 116.946 -1.502 . . . . 0.0 110.962 -177.878 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 CA-C-O 116.792 -1.575 . . . . 0.0 110.693 -176.908 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.252 1.186 0 CA-C-N 119.537 1.062 . . . . 0.0 112.83 -178.863 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 124.981 1.312 . . . . 0.0 111.646 -178.449 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 125.066 1.478 . . . . 0.0 108.268 -179.557 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.746 0 O-C-N 126.586 2.429 . . . . 0.0 111.64 -178.935 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 0.996 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.47 177.579 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.72 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -177.752 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.513 0 C-N-CA 125.678 1.591 . . . . 0.0 111.236 177.403 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 C--O 1.242 0.637 0 O-C-N 121.313 -0.867 . . . . 0.0 114.247 -179.439 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.612 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 179.224 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 119.831 -1.793 . . . . 0.0 109.65 -179.342 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.9 0 N-CA-C 116.384 1.994 . . . . 0.0 116.384 -176.947 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 125.317 1.636 . . . . 0.0 110.259 -176.646 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--O 1.211 -0.941 0 CA-C-N 112.531 -2.122 . . . . 0.0 108.261 176.079 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 N-CA-C 104.529 -2.397 . . . . 0.0 104.529 178.409 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 125.431 1.707 . . . . 0.0 108.286 -177.697 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.289 0 O-C-N 125.906 2.004 . . . . 0.0 110.966 -175.523 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.47 0 O-C-N 126.263 2.717 . . . . 0.0 115.074 -176.517 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.509 0 O-C-N 120.42 -1.425 . . . . 0.0 113.79 177.701 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.393 0 N-CA-C 115.637 1.717 . . . . 0.0 115.637 -177.009 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.264 1.828 0 CA-C-O 115.082 -2.39 . . . . 0.0 112.756 -178.68 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.648 0 CA-C-N 120.936 1.698 . . . . 0.0 114.837 -178.014 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.311 -1.084 0 C-N-CA 127.03 2.132 . . . . 0.0 111.188 -179.551 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 126.188 2.18 . . . . 0.0 110.469 -179.745 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 125.368 1.467 . . . . 0.0 107.071 177.889 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.738 0 C-N-CA 126.556 1.942 . . . . 0.0 112.58 179.034 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.18 0 CA-C-N 113.201 -1.818 . . . . 0.0 111.447 -177.702 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.11 0 C-N-CA 123.835 0.854 . . . . 0.0 113.179 -179.092 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 104.195 -2.52 . . . . 0.0 104.195 177.394 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 104.811 -2.292 . . . . 0.0 104.811 178.681 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 128.533 3.646 . . . . 0.0 116.995 -175.635 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.341 0 N-CA-C 105.29 -3.124 . . . . 0.0 105.29 177.061 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.356 0 O-C-N 128.52 3.13 . . . . 0.0 106.501 179.791 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.845 0 C-N-CA 118.922 -1.111 . . . . 0.0 112.722 -177.65 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.793 0 N-CA-C 109.776 -0.454 . . . . 0.0 109.776 177.523 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.244 0.793 0 CA-C-O 122.451 1.12 . . . . 0.0 108.061 176.476 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.285 0 C-N-CA 121.458 1.439 . . . . 0.0 111.884 -179.727 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 177.008 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 105.336 -2.098 . . . . 0.0 105.336 177.525 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 122.765 1.269 . . . . 0.0 110.095 -176.92 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.25 1.145 0 CA-C-N 112.671 -2.059 . . . . 0.0 112.8 177.867 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.309 -1.182 0 CA-C-N 118.157 0.978 . . . . 0.0 110.73 -179.871 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.923 0 O-C-N 123.501 1.264 . . . . 0.0 111.636 177.5 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 103.173 -2.899 . . . . 0.0 103.173 178.887 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.337 0 O-C-N 126.873 2.608 . . . . 0.0 112.187 -179.304 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.44 -1.675 0 N-CA-C 107.54 -1.754 . . . . 0.0 107.54 -178.984 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.953 0 O-C-N 128.136 3.398 . . . . 0.0 102.993 179.58 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.977 0 CA-C-O 115.983 -1.961 . . . . 0.0 108.825 178.913 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.544 1.873 0 N-CA-C 104.073 -3.611 . . . . 0.0 104.073 -178.845 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.525 0 CA-C-O 115.65 -2.119 . . . . 0.0 109.496 179.814 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.737 0 N-CA-C 103.682 -2.71 . . . . 0.0 103.682 -175.622 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.088 0 O-C-N 127.747 3.154 . . . . 0.0 113.483 -178.524 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 106.322 -1.733 . . . . 0.0 106.322 -177.969 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.501 2.969 0 O-C-N 126.275 2.235 . . . . 0.0 107.621 -178.749 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 120.808 -1.407 . . . . 0.0 110.271 179.579 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.293 0 N-CA-C 100.647 -3.835 . . . . 0.0 100.647 -177.537 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.298 0 CA-C-O 115.229 -2.071 . . . . 0.0 112.068 179.027 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.272 -2.787 0 CA-C-N 120.717 1.599 . . . . 0.0 109.589 177.774 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.423 0 CA-C-N 112.806 -1.997 . . . . 0.0 110.584 178.347 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.318 0 O-C-N 120.925 -1.109 . . . . 0.0 110.409 178.568 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.156 0 O-C-N 125.822 1.952 . . . . 0.0 110.243 -178.319 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.071 0 O-C-N 126.995 2.684 . . . . 0.0 106.999 178.962 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.484 -1.594 0 CA-C-O 122.232 1.015 . . . . 0.0 112.964 177.926 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.88 0 O-C-N 117.486 -3.258 . . . . 0.0 114.568 179.655 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.809 0 O-C-N 125.614 1.821 . . . . 0.0 108.129 179.505 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.299 -1.603 1 O-C-N 129.247 4.092 . . . . 0.0 109.738 179.178 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 120.067 -1.645 . . . . 0.0 111.869 179.076 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.529 0 C-N-CA 125.126 1.37 . . . . 0.0 112.739 178.769 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.042 0 C-N-CA 127.992 2.711 . . . . 0.0 114.314 -178.849 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.273 2.293 0 C-N-CA 128.26 2.624 . . . . 0.0 111.528 -178.06 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 C-N-CA 117.596 -1.642 . . . . 0.0 107.434 179.54 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.086 0 CA-C-O 117.283 -1.341 . . . . 0.0 109.027 -179.901 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.307 0 C-N-CA 122.829 2.352 . . . . 0.0 111.74 178.873 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 332' ' ' ASN . . . . . . . . . . . . . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.249 1.028 0 O-C-N 118.672 -2.518 . . . . 0.0 115.69 -177.18 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.035 0 C-N-CA 126.635 1.974 . . . . 0.0 110.897 179.624 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.506 -0.914 0 C-N-CA 123.453 2.768 . . . . 0.0 115.496 176.959 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-N 121.254 1.843 . . . . 0.0 113.445 177.993 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 124.956 1.302 . . . . 0.0 107.998 -179.956 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.839 0 C-N-CA 119.102 -1.039 . . . . 0.0 109.736 179.111 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.561 -0.712 . . . . 0.0 109.307 179.113 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 114.198 -1.365 . . . . 0.0 109.728 179.839 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 119.577 1.08 . . . . 0.0 111.998 -177.972 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-O 117.064 -1.446 . . . . 0.0 111.811 -178.025 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 115.04 1.496 . . . . 0.0 115.04 -178.898 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.258 1.523 0 CA-C-N 114.552 -1.204 . . . . 0.0 109.117 179.775 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.309 -1.171 0 CA-C-O 124.877 2.275 . . . . 0.0 109.432 178.347 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.027 0 CA-C-N 112.751 -2.022 . . . . 0.0 111.294 178.753 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 121.138 1.79 . . . . 0.0 112.779 179.833 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.253 1.28 0 CA-C-O 118.4 -0.81 . . . . 0.0 112.268 -176.315 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 O-C-N 124.147 0.905 . . . . 0.0 109.108 -179.334 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.307 -1.239 0 CA-C-O 115.185 -2.34 . . . . 0.0 110.866 -178.099 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.229 0 O-C-N 127.551 3.032 . . . . 0.0 111.029 178.979 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.294 -1.807 0 C-N-CA 127.45 2.3 . . . . 0.0 113.762 -177.181 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 125.971 2.045 . . . . 0.0 112.2 -179.898 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.367 0 CA-C-N 121.297 1.862 . . . . 0.0 114.821 179.833 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.583 0 C-N-CA 124.75 1.22 . . . . 0.0 111.439 179.533 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 178.918 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.216 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 178.228 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 O-C-N 124.825 1.328 . . . . 0.0 110.039 -178.631 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 113.629 -1.623 . . . . 0.0 111.048 178.304 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.302 -1.498 0 C-N-CA 127.083 2.153 . . . . 0.0 112.514 -178.528 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 113.729 -1.578 . . . . 0.0 111.97 179.819 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-O 116.738 -1.601 . . . . 0.0 111.66 -178.29 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 126.551 2.407 . . . . 0.0 107.535 178.92 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.041 0 C-N-CA 126.413 1.885 . . . . 0.0 113.171 179.249 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.612 -179.202 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.189 0 O-C-N 124.45 1.093 . . . . 0.0 108.223 178.106 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 116.556 -1.688 . . . . 0.0 112.095 179.074 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.512 0 N-CA-C 115.897 1.814 . . . . 0.0 115.897 -179.736 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 O-C-N 124.456 1.098 . . . . 0.0 111.157 -177.937 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.137 0 O-C-N 125.405 1.691 . . . . 0.0 111.335 -178.673 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.08 0 C-N-CA 127.234 2.214 . . . . 0.0 107.425 179.095 . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' A' A ' 500' ' ' MXT . . . . . 1.087 H121 ' H ' ' A' ' 42' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 600' ' ' MXT . . . . . 0.756 ' O12' H232 ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.773 ' CA ' H121 ' A' ' 500' ' ' MXT . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 1.033 ' N ' ' C12' ' A' ' 500' ' ' MXT . 43.1 t -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 1.004 ' H ' H121 ' A' ' 500' ' ' MXT . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.506 2.335 0 O-C-N 125.664 1.852 . . . . 0.0 106.857 169.76 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.731 1 O-C-N 129.206 4.266 . . . . 0.0 107.931 -173.717 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.901 0 CA-C-N 121.002 1.728 . . . . 0.0 112.626 179.945 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.502 2.167 0 CA-C-N 114.245 -1.343 . . . . 0.0 110.892 179.645 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.163 0 C-N-CA 126.95 2.1 . . . . 0.0 110.237 -175.739 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.256 1.419 0 O-C-N 120.895 -1.128 . . . . 0.0 109.803 -170.828 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.563 0 N-CA-C 105.881 -1.896 . . . . 0.0 105.881 -177.022 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 127.179 2.8 . . . . 0.0 107.794 179.255 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.782 0 CA-C-O 115.399 -2.238 . . . . 0.0 106.479 179.038 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.557 1 O-C-N 130.719 5.012 . . . . 0.0 106.307 177.297 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.157 0 CA-C-O 113.728 -3.034 . . . . 0.0 105.831 -179.773 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.434 0 CA-C-N 121.17 1.804 . . . . 0.0 110.037 -177.786 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.294 -1.809 0 O-C-N 125.844 1.965 . . . . 0.0 105.775 -176.568 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.254 1.339 0 O-C-N 127.521 3.013 . . . . 0.0 112.76 -176.366 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.956 0 O-C-N 127.172 2.795 . . . . 0.0 112.206 177.695 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 122.192 2.269 . . . . 0.0 111.904 -179.644 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--O 1.225 -0.212 0 O-C-N 126.654 2.471 . . . . 0.0 109.674 -174.884 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--O 1.243 0.744 0 C-N-CA 124.668 3.579 . . . . 0.0 111.967 179.67 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.835 0 CA-C-N 111.757 -2.474 . . . . 0.0 106.728 179.151 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.268 0 O-C-N 127.538 3.388 . . . . 0.0 107.873 179.021 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.511 0 C-N-CA 121.858 1.705 . . . . 0.0 108.308 178.838 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.61 0 O-C-N 127.067 2.729 . . . . 0.0 112.151 179.922 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.987 0 C-N-CA 126.741 2.017 . . . . 0.0 114.871 -174.424 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.701 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 174.973 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.305 -1.344 0 C-N-CA 125.076 1.351 . . . . 0.0 113.65 -175.809 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.408 0 CA-C-O 117.41 -1.281 . . . . 0.0 112.798 -179.391 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.253 1.269 0 CA-C-N 121.731 2.06 . . . . 0.0 114.892 179.655 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.473 0 C-N-CA 122.128 1.886 . . . . 0.0 113.317 178.111 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.896 0 C-N-CA 129.783 3.233 . . . . 0.0 112.279 178.846 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.052 0 O-C-N 119.47 -2.019 . . . . 0.0 109.548 177.961 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.559 1.322 0 CA-C-O 115.59 -2.148 . . . . 0.0 109.259 179.73 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 127.42 2.95 . . . . 0.0 109.418 179.559 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.216 0 O-C-N 120.318 -1.489 . . . . 0.0 112.867 177.189 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-O 122.028 0.918 . . . . 0.0 113.372 179.015 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.266 0 C-N-CA 126.479 1.911 . . . . 0.0 109.305 179.705 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 125.123 1.514 . . . . 0.0 110.263 175.827 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.269 2.104 0 C-N-CA 127.101 2.16 . . . . 0.0 114.598 178.863 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.027 0 CA-C-O 117.086 -1.952 . . . . 0.0 112.342 178.478 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-N 118.134 0.967 . . . . 0.0 108.526 179.239 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 176.03 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.961 0 C-N-CA 123.946 0.899 . . . . 0.0 112.837 -179.481 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.469 0 N-CA-C 114.965 1.468 . . . . 0.0 114.965 -175.525 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.31 -1.109 0 C-N-CA 125.048 1.339 . . . . 0.0 108.082 175.084 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 177.26 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.959 0 CA-C-N 114.268 -1.333 . . . . 0.0 110.062 -179.864 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-O 115.923 -1.989 . . . . 0.0 112.302 178.807 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.577 0 C-N-CA 126.86 2.064 . . . . 0.0 116.504 -174.878 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.606 0 CA-C-O 122.773 1.273 . . . . 0.0 112.264 -178.876 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 122.408 2.072 . . . . 0.0 115.113 -179.545 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 177.637 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.433 0 N-CA-C 115.211 1.56 . . . . 0.0 115.211 178.305 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.497 -1.081 0 O-C-N 118.337 -2.727 . . . . 0.0 114.637 -179.098 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.328 0 N-CA-C 115.93 1.826 . . . . 0.0 115.93 179.73 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 CA-C-N 120.316 1.148 . . . . 0.0 114.871 -179.622 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.27 1.028 . . . . 0.0 112.055 179.831 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 O-C-N 125.09 1.494 . . . . 0.0 111.506 -179.742 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.255 1.35 0 N-CA-C 116.907 2.188 . . . . 0.0 116.907 179.107 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 127.665 2.386 . . . . 0.0 115.545 -178.085 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.861 0 N-CA-C 117.107 2.262 . . . . 0.0 117.107 -178.545 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.09 0 CA-C-O 115.688 -2.729 . . . . 0.0 118.873 177.663 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.947 0 CA-C-N 124.155 3.978 . . . . 0.0 111.397 179.716 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-O 115.622 -2.132 . . . . 0.0 106.291 177.497 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.509 0 O-C-N 125.528 1.768 . . . . 0.0 107.604 -178.917 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.489 0 O-C-N 125.809 1.943 . . . . 0.0 111.459 -179.644 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-O 122.127 0.965 . . . . 0.0 110.695 179.442 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.037 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 -179.883 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.266 1.967 0 O-C-N 126.043 2.089 . . . . 0.0 116.228 -179.86 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.785 0 CA-C-O 117.91 -1.043 . . . . 0.0 112.574 -178.238 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 2.004 0 N-CA-C 107.801 -2.119 . . . . 0.0 107.801 -178.412 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 125.342 2.496 . . . . 0.0 112.662 -177.807 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.859 0 CA-C-N 110.908 -2.86 . . . . 0.0 110.427 179.195 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.314 -0.967 0 O-C-N 126.349 2.28 . . . . 0.0 105.458 176.604 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.39 0 N-CA-C 117.806 2.521 . . . . 0.0 117.806 -176.548 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 178.831 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 103.797 -2.668 . . . . 0.0 103.797 177.09 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 CA-C-N 111.997 -2.365 . . . . 0.0 107.981 -179.3 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.301 0 N-CA-C 118.542 2.177 . . . . 0.0 118.542 -178.239 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.241 0.658 0 O-C-N 121.466 -1.02 . . . . 0.0 112.249 -179.612 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.692 0 O-C-N 123.662 0.601 . . . . 0.0 112.615 -177.192 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.844 0 CA-C-O 124.178 1.942 . . . . 0.0 110.085 -179.805 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.894 0 CA-C-N 113.417 -1.72 . . . . 0.0 108.371 -178.343 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.463 0.464 0 CA-C-N 114.058 -1.428 . . . . 0.0 110.198 179.258 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 124.844 0.967 . . . . 0.0 110.04 179.939 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 1.012 0 CA-C-N 114.339 -1.3 . . . . 0.0 109.352 179.319 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.482 1.156 0 O-C-N 124.511 1.132 . . . . 0.0 110.219 178.83 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 CA--C 1.501 -0.829 0 N-CA-C 119.025 2.37 . . . . 0.0 119.025 -179.683 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.214 -0.809 0 O-C-N 120.899 -1.354 . . . . 0.0 109.116 179.488 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 107.124 -1.435 . . . . 0.0 107.124 178.587 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.871 0 O-C-N 125.632 1.832 . . . . 0.0 110.236 179.122 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.293 0.568 . . . . 0.0 111.86 -179.163 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 115.704 -2.093 . . . . 0.0 108.795 -177.895 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.894 0 O-C-N 127.272 2.858 . . . . 0.0 110.368 178.727 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 117.634 -1.174 . . . . 0.0 109.544 -179.655 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 O-C-N 128.182 3.426 . . . . 0.0 112.823 -177.706 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.276 0 O-C-N 125.096 1.497 . . . . 0.0 111.748 -178.086 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 123.861 0.865 . . . . 0.0 110.175 178.269 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 118.055 2.613 . . . . 0.0 118.055 175.67 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.051 0 C-N-CA 124.103 0.961 . . . . 0.0 109.071 177.52 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 127.412 2.945 . . . . 0.0 111.378 -177.92 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.305 -1.357 0 C-N-CA 130.008 3.323 . . . . 0.0 109.001 178.281 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.949 0 O-C-N 126.801 2.563 . . . . 0.0 113.734 -178.116 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 115.258 1.577 . . . . 0.0 115.258 -178.421 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 124.742 1.276 . . . . 0.0 109.985 178.499 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.394 0 C-N-CA 124.019 0.927 . . . . 0.0 109.22 179.043 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 123.482 0.713 . . . . 0.0 112.728 -178.479 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 3.8 p -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-O 116.957 -1.497 . . . . 0.0 110.983 -177.86 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.68 0 CA-C-O 116.76 -1.59 . . . . 0.0 110.726 -176.96 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.25 1.126 0 CA-C-N 119.513 1.051 . . . . 0.0 112.882 -178.911 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 124.956 1.302 . . . . 0.0 111.72 -178.521 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 125.066 1.479 . . . . 0.0 108.256 -179.541 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 126.585 2.428 . . . . 0.0 111.596 -178.951 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.016 0 C-N-CA 120.202 -0.599 . . . . 0.0 110.504 177.565 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -177.713 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.524 0 C-N-CA 125.7 1.6 . . . . 0.0 111.275 177.385 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 C--O 1.243 0.69 0 O-C-N 121.24 -0.912 . . . . 0.0 114.229 -179.429 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.602 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 179.256 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 119.8 -1.813 . . . . 0.0 109.676 -179.319 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 116.318 1.969 . . . . 0.0 116.318 -176.969 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 125.192 1.558 . . . . 0.0 110.327 -176.632 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--O 1.212 -0.908 0 CA-C-N 112.55 -2.114 . . . . 0.0 108.302 176.001 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 N-CA-C 104.525 -2.398 . . . . 0.0 104.525 178.488 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 125.418 1.699 . . . . 0.0 108.284 -177.685 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.277 0 O-C-N 125.911 2.007 . . . . 0.0 110.974 -175.54 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.474 -2.493 0 O-C-N 126.233 2.701 . . . . 0.0 115.076 -176.506 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.538 0 O-C-N 120.398 -1.439 . . . . 0.0 113.819 177.682 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.363 0 N-CA-C 115.609 1.707 . . . . 0.0 115.609 -176.955 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.264 1.828 0 CA-C-O 115.102 -2.38 . . . . 0.0 112.836 -178.727 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.649 0 CA-C-N 120.932 1.696 . . . . 0.0 114.854 -178.072 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.311 -1.088 0 C-N-CA 127.117 2.167 . . . . 0.0 111.153 -179.542 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 O-C-N 126.246 2.216 . . . . 0.0 110.474 -179.707 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 107.062 -1.459 . . . . 0.0 107.062 177.918 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.261 1.71 0 C-N-CA 126.568 1.947 . . . . 0.0 112.63 179.002 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.144 0 CA-C-N 113.179 -1.828 . . . . 0.0 111.411 -177.705 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.125 0 C-N-CA 123.809 0.843 . . . . 0.0 113.145 -179.082 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 104.209 -2.515 . . . . 0.0 104.209 177.442 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 104.807 -2.294 . . . . 0.0 104.807 178.701 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 128.533 3.646 . . . . 0.0 116.998 -175.615 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.584 4.35 0 N-CA-C 105.303 -3.119 . . . . 0.0 105.303 177.074 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.357 0 O-C-N 128.506 3.121 . . . . 0.0 106.571 179.748 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.846 0 C-N-CA 118.923 -1.111 . . . . 0.0 112.683 -177.587 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.757 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.555 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.244 0.803 0 CA-C-O 122.486 1.136 . . . . 0.0 108.068 176.422 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 121.477 1.451 . . . . 0.0 111.816 -179.678 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 176.981 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 105.346 -2.094 . . . . 0.0 105.346 177.503 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 122.791 1.281 . . . . 0.0 110.068 -176.914 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.166 0 CA-C-N 112.685 -2.052 . . . . 0.0 112.773 178.259 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.208 0 CA-C-N 118.202 1.001 . . . . 0.0 110.715 179.553 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.957 0 O-C-N 123.486 1.256 . . . . 0.0 111.633 177.778 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.052 0 N-CA-C 103.149 -2.908 . . . . 0.0 103.149 178.969 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.306 -1.315 0 O-C-N 126.915 2.635 . . . . 0.0 112.221 -179.226 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.701 0 N-CA-C 107.577 -1.74 . . . . 0.0 107.577 -178.96 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.952 0 O-C-N 128.099 3.374 . . . . 0.0 103.002 179.42 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.996 0 CA-C-O 116.01 -1.948 . . . . 0.0 108.775 178.328 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.843 0 N-CA-C 104.113 -3.595 . . . . 0.0 104.113 -179.866 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.257 1.485 0 CA-C-O 115.73 -2.081 . . . . 0.0 109.482 -179.408 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.737 0 N-CA-C 103.727 -2.694 . . . . 0.0 103.727 -176.411 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.072 0 O-C-N 127.791 3.182 . . . . 0.0 113.559 -176.965 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 -177.197 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.915 0 O-C-N 126.272 2.232 . . . . 0.0 107.615 -178.987 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 120.283 -1.716 . . . . 0.0 110.271 -179.356 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.322 0 N-CA-C 100.64 -3.837 . . . . 0.0 100.64 172.704 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.297 0 CA-C-O 115.184 -2.09 . . . . 0.0 112.088 -178.524 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.82 0 CA-C-N 120.742 1.61 . . . . 0.0 109.581 177.775 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.444 0 CA-C-N 112.853 -1.976 . . . . 0.0 110.617 178.26 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.432 -1.332 0 O-C-N 120.918 -1.114 . . . . 0.0 110.44 178.548 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.159 0 O-C-N 125.738 1.899 . . . . 0.0 110.274 -178.372 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.077 0 O-C-N 127.087 2.742 . . . . 0.0 107.053 178.966 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.607 0 CA-C-O 122.221 1.01 . . . . 0.0 112.933 177.878 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.918 0 O-C-N 117.48 -3.262 . . . . 0.0 114.634 179.668 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.792 0 O-C-N 125.592 1.807 . . . . 0.0 108.167 179.448 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.299 -1.598 1 O-C-N 129.254 4.096 . . . . 0.0 109.742 179.178 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 120.019 -1.676 . . . . 0.0 111.818 179.119 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.3 -1.546 0 C-N-CA 125.163 1.385 . . . . 0.0 112.771 178.742 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.037 0 C-N-CA 127.99 2.709 . . . . 0.0 114.326 -179.049 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.283 0 C-N-CA 128.214 2.605 . . . . 0.0 111.515 179.789 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 C-N-CA 117.571 -1.652 . . . . 0.0 107.425 178.422 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.085 0 CA-C-O 117.297 -1.335 . . . . 0.0 108.991 -179.989 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.298 0 C-N-CA 122.866 2.377 . . . . 0.0 111.795 179.816 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 332' ' ' ASN . . . . . . . . . . . . . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.007 0 O-C-N 118.654 -2.529 . . . . 0.0 115.733 -177.508 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.053 0 C-N-CA 126.648 1.979 . . . . 0.0 110.921 178.905 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.504 -0.979 0 C-N-CA 123.397 2.731 . . . . 0.0 115.52 -179.085 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 121.329 1.877 . . . . 0.0 113.39 178.038 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.316 -0.852 0 C-N-CA 124.99 1.316 . . . . 0.0 108.01 -179.994 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.246 0.871 0 C-N-CA 119.132 -1.027 . . . . 0.0 109.702 179.132 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.626 -0.671 . . . . 0.0 109.29 179.161 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 114.214 -1.357 . . . . 0.0 109.717 179.867 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 119.578 1.081 . . . . 0.0 111.962 -177.947 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-O 117.079 -1.438 . . . . 0.0 111.846 -178.033 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 115.06 1.504 . . . . 0.0 115.06 -178.874 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.256 1.446 0 CA-C-N 114.565 -1.198 . . . . 0.0 109.173 179.706 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-O 124.898 2.285 . . . . 0.0 109.437 178.294 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.499 -1.004 0 CA-C-N 112.761 -2.018 . . . . 0.0 111.319 178.799 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.733 0 CA-C-N 121.108 1.776 . . . . 0.0 112.742 179.828 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.307 0 CA-C-O 118.429 -0.795 . . . . 0.0 112.303 -176.326 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 O-C-N 124.093 0.871 . . . . 0.0 109.111 -179.292 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-O 115.167 -2.349 . . . . 0.0 110.846 -178.101 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.22 0 O-C-N 127.608 3.067 . . . . 0.0 110.995 179.013 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.296 -1.755 0 C-N-CA 127.4 2.28 . . . . 0.0 113.801 -177.152 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 125.965 2.04 . . . . 0.0 112.2 -179.936 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.366 0 CA-C-N 121.327 1.876 . . . . 0.0 114.851 179.845 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.258 1.527 0 C-N-CA 124.766 1.226 . . . . 0.0 111.426 179.564 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 179.004 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 178.21 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 O-C-N 124.791 1.307 . . . . 0.0 110.02 -178.665 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.041 178.351 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.502 0 C-N-CA 127.13 2.172 . . . . 0.0 112.509 -178.559 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 113.697 -1.592 . . . . 0.0 111.976 179.79 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-O 116.724 -1.607 . . . . 0.0 111.639 -178.286 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 126.528 2.392 . . . . 0.0 107.548 178.9 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.437 -1.081 0 C-N-CA 126.418 1.887 . . . . 0.0 113.134 179.299 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.644 -179.227 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 124.474 1.109 . . . . 0.0 108.195 178.13 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-O 116.578 -1.677 . . . . 0.0 112.133 179.041 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.257 1.495 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 -179.75 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 O-C-N 124.464 1.103 . . . . 0.0 111.15 -177.961 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.111 0 O-C-N 125.47 1.731 . . . . 0.0 111.378 -178.667 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.067 0 C-N-CA 127.275 2.23 . . . . 0.0 107.432 179.108 . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' A' A ' 500' ' ' MXT . . . . . 1.033 ' C12' ' N ' ' A' ' 41' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 600' ' ' MXT . . . . . 0.891 ' O11' H232 ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 31.5 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.3 0 O-C-N 125.664 1.852 . . . . 0.0 106.863 166.077 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.723 1 O-C-N 129.167 4.246 . . . . 0.0 107.999 -173.426 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.936 0 CA-C-N 121.022 1.737 . . . . 0.0 112.664 -177.933 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.189 0 CA-C-N 114.228 -1.351 . . . . 0.0 110.926 -176.373 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.21 0 C-N-CA 127.033 2.133 . . . . 0.0 110.294 -176.943 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.454 0 O-C-N 120.917 -1.114 . . . . 0.0 109.848 177.613 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.599 0 N-CA-C 105.917 -1.882 . . . . 0.0 105.917 -175.632 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 127.13 2.769 . . . . 0.0 107.791 179.789 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.777 0 CA-C-O 115.396 -2.24 . . . . 0.0 106.471 -179.019 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.558 1 O-C-N 130.701 5.001 . . . . 0.0 106.287 170.413 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.119 0 CA-C-O 113.699 -3.048 . . . . 0.0 105.886 -179.841 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-N 121.153 1.797 . . . . 0.0 110.064 -177.779 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 125.871 1.982 . . . . 0.0 105.842 -176.625 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.393 0 O-C-N 127.515 3.01 . . . . 0.0 112.743 -176.333 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.267 2.005 0 O-C-N 127.21 2.818 . . . . 0.0 112.226 177.665 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 122.176 2.262 . . . . 0.0 111.88 -179.617 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.331 -0.222 0 O-C-N 126.638 2.462 . . . . 0.0 109.743 -174.924 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--O 1.242 0.695 0 C-N-CA 124.68 3.587 . . . . 0.0 111.932 179.725 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.475 0.823 0 CA-C-N 111.736 -2.484 . . . . 0.0 106.736 179.178 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.248 0 O-C-N 127.475 3.355 . . . . 0.0 107.914 178.958 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.548 0 C-N-CA 121.863 1.709 . . . . 0.0 108.288 178.873 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.581 0 O-C-N 127.106 2.754 . . . . 0.0 112.152 179.942 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.291 -1.951 0 C-N-CA 126.731 2.012 . . . . 0.0 114.901 -174.467 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.702 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 175.023 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.304 0 O-C-N 124.898 1.374 . . . . 0.0 113.639 -175.787 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.415 0 CA-C-O 117.419 -1.277 . . . . 0.0 112.807 -179.401 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.322 0 CA-C-N 121.688 2.04 . . . . 0.0 114.931 179.618 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.495 0 C-N-CA 122.158 1.905 . . . . 0.0 113.302 178.107 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.87 0 C-N-CA 129.837 3.255 . . . . 0.0 112.317 178.835 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.028 0 O-C-N 119.444 -2.035 . . . . 0.0 109.496 177.997 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.33 0 CA-C-O 115.586 -2.149 . . . . 0.0 109.241 179.749 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 127.419 2.949 . . . . 0.0 109.427 179.552 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.199 0 O-C-N 120.273 -1.517 . . . . 0.0 112.878 177.195 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 122.045 0.926 . . . . 0.0 113.336 179.041 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.263 0 C-N-CA 126.514 1.926 . . . . 0.0 109.276 179.698 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 125.087 1.492 . . . . 0.0 110.258 175.869 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.269 2.093 0 C-N-CA 127.053 2.141 . . . . 0.0 114.605 178.839 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.026 0 CA-C-O 117.108 -1.94 . . . . 0.0 112.341 178.433 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.446 0 CA-C-N 118.143 0.971 . . . . 0.0 108.485 179.298 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 176.044 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.924 0 C-N-CA 123.915 0.886 . . . . 0.0 112.915 -179.511 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.478 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 -175.549 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.092 0 C-N-CA 125.0 1.32 . . . . 0.0 108.077 175.12 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.315 -0.913 0 O-C-N 124.564 1.165 . . . . 0.0 107.94 177.234 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.969 0 CA-C-N 114.293 -1.321 . . . . 0.0 110.067 -179.911 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-O 116.021 -1.943 . . . . 0.0 112.334 178.785 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.278 -2.535 0 C-N-CA 126.862 2.065 . . . . 0.0 116.549 -174.859 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.602 0 CA-C-O 122.739 1.257 . . . . 0.0 112.297 -178.937 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 122.359 2.039 . . . . 0.0 115.117 -179.533 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 177.615 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.435 0 N-CA-C 115.223 1.564 . . . . 0.0 115.223 178.248 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.099 0 O-C-N 118.372 -2.705 . . . . 0.0 114.635 -179.092 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.305 0 N-CA-C 115.997 1.851 . . . . 0.0 115.997 179.661 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.067 0 CA-C-N 120.293 1.141 . . . . 0.0 114.845 -179.61 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.266 1.026 . . . . 0.0 111.994 179.88 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 O-C-N 125.044 1.465 . . . . 0.0 111.475 -179.705 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.317 0 N-CA-C 116.958 2.207 . . . . 0.0 116.958 179.082 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 127.654 2.382 . . . . 0.0 115.558 -178.059 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.862 0 N-CA-C 117.159 2.281 . . . . 0.0 117.159 -178.566 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.093 0 CA-C-O 115.664 -2.742 . . . . 0.0 118.874 177.68 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.944 0 CA-C-N 124.181 3.991 . . . . 0.0 111.405 179.684 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-O 115.621 -2.133 . . . . 0.0 106.251 177.559 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.52 0 O-C-N 125.484 1.74 . . . . 0.0 107.641 -179.005 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.466 0 O-C-N 125.78 1.925 . . . . 0.0 111.449 -179.626 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-O 122.128 0.966 . . . . 0.0 110.704 179.407 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.041 0 N-CA-C 106.741 -1.577 . . . . 0.0 106.741 -179.9 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 1.992 0 O-C-N 126.015 2.072 . . . . 0.0 116.208 -179.834 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.264 1.829 0 CA-C-O 117.892 -1.051 . . . . 0.0 112.594 -178.263 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 1.969 0 N-CA-C 107.817 -2.113 . . . . 0.0 107.817 -178.421 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 125.338 2.494 . . . . 0.0 112.65 -177.811 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.246 0.87 0 CA-C-N 110.882 -2.872 . . . . 0.0 110.415 179.184 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -0.981 0 O-C-N 126.399 2.312 . . . . 0.0 105.449 176.575 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.386 0 N-CA-C 117.761 2.504 . . . . 0.0 117.761 -176.538 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 178.788 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 103.82 -2.659 . . . . 0.0 103.82 177.015 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 CA-C-N 112.012 -2.358 . . . . 0.0 108.038 -179.337 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.321 0 N-CA-C 118.55 2.18 . . . . 0.0 118.55 -178.247 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.696 0 O-C-N 121.488 -1.007 . . . . 0.0 112.254 -179.657 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.625 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -177.188 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 124.242 1.972 . . . . 0.0 110.053 -179.783 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.91 0 CA-C-N 113.399 -1.728 . . . . 0.0 108.354 -178.351 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.463 0.484 0 CA-C-N 114.065 -1.425 . . . . 0.0 110.178 179.29 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 124.856 0.974 . . . . 0.0 110.097 179.885 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 1.019 0 CA-C-N 114.314 -1.312 . . . . 0.0 109.318 179.307 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.484 1.269 0 O-C-N 124.549 1.156 . . . . 0.0 110.172 178.871 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.31 -0.872 0 N-CA-C 119.028 2.371 . . . . 0.0 119.028 -179.628 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.853 0 O-C-N 120.885 -1.362 . . . . 0.0 109.071 179.499 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.297 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 178.675 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.903 0 O-C-N 125.708 1.88 . . . . 0.0 110.28 179.126 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.31 0.576 . . . . 0.0 111.854 -179.16 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 115.732 -2.08 . . . . 0.0 108.758 -177.874 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.293 -1.883 0 O-C-N 127.266 2.854 . . . . 0.0 110.375 178.76 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 117.675 -1.155 . . . . 0.0 109.582 -179.703 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 O-C-N 128.161 3.413 . . . . 0.0 112.864 -177.715 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.279 0 O-C-N 125.132 1.52 . . . . 0.0 111.687 -178.071 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 123.867 0.867 . . . . 0.0 110.219 178.234 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.938 0 N-CA-C 118.051 2.611 . . . . 0.0 118.051 175.715 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.048 0 C-N-CA 124.134 0.974 . . . . 0.0 109.064 177.471 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 127.427 2.954 . . . . 0.0 111.33 -177.937 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 130.007 3.323 . . . . 0.0 108.974 178.331 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.246 0.905 0 O-C-N 126.761 2.538 . . . . 0.0 113.799 -178.178 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 115.258 1.577 . . . . 0.0 115.258 -178.393 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 124.763 1.29 . . . . 0.0 109.971 178.53 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.303 -1.441 0 C-N-CA 124.059 0.943 . . . . 0.0 109.208 179.029 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.315 -0.892 0 C-N-CA 123.535 0.734 . . . . 0.0 112.731 -178.51 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-O 117.023 -1.465 . . . . 0.0 110.981 -177.816 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 CA-C-O 116.753 -1.594 . . . . 0.0 110.703 -176.926 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.167 0 CA-C-N 119.574 1.079 . . . . 0.0 112.889 -178.92 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 124.915 1.286 . . . . 0.0 111.706 -178.511 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 125.075 1.484 . . . . 0.0 108.316 -179.592 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.295 -1.769 0 O-C-N 126.546 2.404 . . . . 0.0 111.641 -178.975 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.019 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.475 177.583 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.75 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 -177.76 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 125.675 1.59 . . . . 0.0 111.262 177.381 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 C--O 1.243 0.664 0 O-C-N 121.335 -0.853 . . . . 0.0 114.218 -179.442 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.628 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 179.232 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 119.795 -1.816 . . . . 0.0 109.637 -179.344 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 116.345 1.98 . . . . 0.0 116.345 -176.906 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 125.222 1.576 . . . . 0.0 110.305 -176.634 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 112.512 -2.131 . . . . 0.0 108.281 176.007 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 N-CA-C 104.498 -2.408 . . . . 0.0 104.498 178.491 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 125.437 1.711 . . . . 0.0 108.318 -177.668 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.278 0 O-C-N 125.883 1.989 . . . . 0.0 110.979 -175.532 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.467 0 O-C-N 126.258 2.715 . . . . 0.0 115.011 -176.517 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.543 0 O-C-N 120.384 -1.447 . . . . 0.0 113.805 177.691 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.254 1.338 0 N-CA-C 115.652 1.723 . . . . 0.0 115.652 -176.998 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 115.047 -2.406 . . . . 0.0 112.779 -178.728 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.643 0 CA-C-N 120.955 1.707 . . . . 0.0 114.82 -177.992 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.311 -1.082 0 C-N-CA 127.065 2.146 . . . . 0.0 111.203 -179.588 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 O-C-N 126.236 2.21 . . . . 0.0 110.485 -179.734 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 125.365 1.466 . . . . 0.0 107.044 177.914 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.261 1.708 0 C-N-CA 126.583 1.953 . . . . 0.0 112.557 179.081 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.252 1.193 0 CA-C-N 113.209 -1.814 . . . . 0.0 111.372 -177.673 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.309 -1.157 0 C-N-CA 123.873 0.869 . . . . 0.0 113.17 -179.054 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 104.124 -2.546 . . . . 0.0 104.124 177.489 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 104.865 -2.272 . . . . 0.0 104.865 178.628 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 128.543 3.652 . . . . 0.0 116.957 -175.607 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.584 4.354 0 N-CA-C 105.313 -3.115 . . . . 0.0 105.313 177.095 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.36 0 O-C-N 128.511 3.124 . . . . 0.0 106.487 179.809 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.816 0 C-N-CA 118.928 -1.109 . . . . 0.0 112.696 -177.646 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.742 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 177.527 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.244 0.806 0 CA-C-O 122.399 1.095 . . . . 0.0 108.095 176.451 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 121.457 1.438 . . . . 0.0 111.872 -179.729 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 177.028 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 105.367 -2.086 . . . . 0.0 105.367 177.476 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 122.828 1.299 . . . . 0.0 110.151 -176.887 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.25 1.132 0 CA-C-N 112.631 -2.077 . . . . 0.0 112.776 179.807 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.309 -1.191 0 CA-C-N 118.145 0.972 . . . . 0.0 110.727 179.938 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 O-C-N 123.465 1.245 . . . . 0.0 111.633 177.161 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.038 0 N-CA-C 103.12 -2.918 . . . . 0.0 103.12 178.408 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.337 0 O-C-N 126.861 2.601 . . . . 0.0 112.228 -178.928 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.44 -1.656 0 N-CA-C 107.558 -1.747 . . . . 0.0 107.558 -179.516 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.971 0 O-C-N 128.146 3.403 . . . . 0.0 103.022 177.937 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.266 1.963 0 CA-C-O 115.996 -1.954 . . . . 0.0 108.795 -177.107 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 C--N 1.293 -1.827 0 N-CA-C 104.117 -3.593 . . . . 0.0 104.117 178.261 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.527 0 CA-C-O 115.668 -2.11 . . . . 0.0 109.452 -177.309 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.569 1.705 0 N-CA-C 103.684 -2.71 . . . . 0.0 103.684 -178.813 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.088 0 O-C-N 127.69 3.119 . . . . 0.0 113.541 -179.736 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 106.31 -1.737 . . . . 0.0 106.31 -177.468 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.963 0 O-C-N 126.305 2.253 . . . . 0.0 107.593 -179.536 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.294 -2.297 . . . . 0.0 110.271 -177.577 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.336 0 N-CA-C 100.617 -3.846 . . . . 0.0 100.617 -177.198 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.294 0 CA-C-O 115.223 -2.074 . . . . 0.0 112.103 177.925 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.824 0 CA-C-N 120.713 1.597 . . . . 0.0 109.596 177.789 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.427 0 CA-C-N 112.859 -1.973 . . . . 0.0 110.594 178.306 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.285 0 O-C-N 120.94 -1.1 . . . . 0.0 110.438 178.533 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.166 0 O-C-N 125.78 1.925 . . . . 0.0 110.326 -178.405 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.289 -2.057 0 O-C-N 127.084 2.74 . . . . 0.0 107.056 178.967 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.608 0 CA-C-O 122.2 1.0 . . . . 0.0 112.927 177.902 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.877 0 O-C-N 117.482 -3.262 . . . . 0.0 114.574 179.661 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.805 0 O-C-N 125.605 1.815 . . . . 0.0 108.192 179.474 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.563 1 O-C-N 129.24 4.088 . . . . 0.0 109.716 179.204 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 120.022 -1.674 . . . . 0.0 111.832 179.133 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.302 -1.489 0 C-N-CA 125.127 1.371 . . . . 0.0 112.747 178.775 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.038 0 C-N-CA 128.026 2.727 . . . . 0.0 114.322 -179.346 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.273 2.293 0 C-N-CA 128.304 2.642 . . . . 0.0 111.519 -178.368 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 C-N-CA 117.611 -1.636 . . . . 0.0 107.399 179.877 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.097 0 CA-C-O 117.328 -1.32 . . . . 0.0 109.002 -179.88 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 N--CA 1.49 1.3 0 C-N-CA 122.838 2.358 . . . . 0.0 111.774 178.765 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 332' ' ' ASN . . . . . . . . . . . . . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.002 0 O-C-N 118.597 -2.565 . . . . 0.0 115.716 -178.095 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.046 0 C-N-CA 126.603 1.961 . . . . 0.0 110.955 178.409 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.926 0 C-N-CA 123.424 2.749 . . . . 0.0 115.511 179.229 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-N 121.245 1.838 . . . . 0.0 113.457 178.009 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 124.921 1.288 . . . . 0.0 108.031 -179.978 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.246 0.869 0 C-N-CA 119.038 -1.065 . . . . 0.0 109.766 179.082 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.611 -0.681 . . . . 0.0 109.312 179.08 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 C--O 1.244 0.793 0 CA-C-N 114.234 -1.348 . . . . 0.0 109.725 179.848 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 119.572 1.078 . . . . 0.0 111.934 -177.96 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-O 117.083 -1.437 . . . . 0.0 111.861 -178.016 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 -178.899 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.256 1.438 0 CA-C-N 114.592 -1.185 . . . . 0.0 109.209 179.728 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-O 124.88 2.276 . . . . 0.0 109.45 178.292 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.022 0 CA-C-N 112.687 -2.051 . . . . 0.0 111.275 178.784 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.733 0 CA-C-N 121.143 1.792 . . . . 0.0 112.788 179.898 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.3 0 CA-C-O 118.423 -0.799 . . . . 0.0 112.287 -176.347 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 O-C-N 124.125 0.891 . . . . 0.0 109.111 -179.348 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-O 115.259 -2.305 . . . . 0.0 110.893 -178.101 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.309 -1.185 0 O-C-N 127.537 3.023 . . . . 0.0 111.015 178.996 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.294 -1.816 0 C-N-CA 127.384 2.274 . . . . 0.0 113.767 -177.154 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 126.001 2.063 . . . . 0.0 112.148 -179.881 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.402 0 CA-C-N 121.314 1.87 . . . . 0.0 114.787 179.818 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.582 0 C-N-CA 124.771 1.228 . . . . 0.0 111.413 179.594 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 107.159 -1.423 . . . . 0.0 107.159 178.956 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 178.237 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 O-C-N 124.823 1.327 . . . . 0.0 109.999 -178.65 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.357 0 CA-C-N 113.628 -1.624 . . . . 0.0 111.068 178.32 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 127.166 2.186 . . . . 0.0 112.495 -178.507 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 113.703 -1.589 . . . . 0.0 111.975 179.769 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-O 116.787 -1.578 . . . . 0.0 111.684 -178.288 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 126.509 2.381 . . . . 0.0 107.59 178.891 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.437 -1.078 0 C-N-CA 126.419 1.888 . . . . 0.0 113.145 179.253 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.116 -0.947 . . . . 0.0 109.621 -179.236 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.174 0 O-C-N 124.454 1.096 . . . . 0.0 108.261 178.112 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 116.515 -1.707 . . . . 0.0 112.102 179.054 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.513 0 N-CA-C 115.893 1.812 . . . . 0.0 115.893 -179.761 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 O-C-N 124.506 1.129 . . . . 0.0 111.111 -177.92 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.311 -1.102 0 O-C-N 125.449 1.718 . . . . 0.0 111.374 -178.673 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.071 0 C-N-CA 127.264 2.226 . . . . 0.0 107.425 179.159 . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' A' A ' 500' ' ' MXT . . . . . 0.83 ' O11' H232 ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 600' ' ' MXT . . . . . 0.728 ' O12' H232 ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.9 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.506 2.334 0 O-C-N 125.664 1.852 . . . . 0.0 106.847 168.168 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.723 1 O-C-N 129.146 4.234 . . . . 0.0 107.981 -175.338 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.909 0 CA-C-N 121.019 1.736 . . . . 0.0 112.606 -178.16 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.176 0 CA-C-N 114.208 -1.36 . . . . 0.0 110.928 -176.852 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.208 0 C-N-CA 126.998 2.119 . . . . 0.0 110.248 -176.56 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.469 0 O-C-N 120.862 -1.148 . . . . 0.0 109.841 176.535 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.589 0 N-CA-C 105.947 -1.872 . . . . 0.0 105.947 -175.496 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 127.137 2.773 . . . . 0.0 107.812 179.288 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.784 0 CA-C-O 115.432 -2.223 . . . . 0.0 106.484 177.48 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.551 1 O-C-N 130.693 4.995 . . . . 0.0 106.302 178.488 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.142 0 CA-C-O 113.792 -3.004 . . . . 0.0 105.861 -179.856 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-N 121.127 1.785 . . . . 0.0 110.027 -177.793 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 125.871 1.982 . . . . 0.0 105.791 -176.628 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.347 0 O-C-N 127.538 3.024 . . . . 0.0 112.76 -176.379 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.952 0 O-C-N 127.228 2.83 . . . . 0.0 112.26 177.641 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.314 -0.938 0 O-C-N 119.057 -2.277 . . . . 0.0 111.909 -179.669 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--O 1.224 -0.24 0 O-C-N 126.669 2.481 . . . . 0.0 109.727 -174.923 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--O 1.242 0.712 0 C-N-CA 124.616 3.544 . . . . 0.0 111.929 179.761 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.855 0 CA-C-N 111.76 -2.473 . . . . 0.0 106.725 179.178 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.313 -1.299 0 O-C-N 127.498 3.367 . . . . 0.0 107.923 178.964 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.546 0 CA-C-O 116.159 -1.684 . . . . 0.0 108.336 178.878 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.428 -1.564 0 O-C-N 127.03 2.706 . . . . 0.0 112.116 179.975 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -2.004 0 C-N-CA 126.809 2.044 . . . . 0.0 114.893 -174.43 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.707 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 174.98 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.304 0 O-C-N 124.904 1.378 . . . . 0.0 113.683 -175.817 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.427 0 CA-C-O 117.37 -1.3 . . . . 0.0 112.746 -179.382 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.326 0 CA-C-N 121.744 2.065 . . . . 0.0 114.947 179.597 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.311 -1.443 0 C-N-CA 122.165 1.91 . . . . 0.0 113.354 178.07 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.292 -1.91 0 C-N-CA 129.773 3.229 . . . . 0.0 112.282 178.84 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.039 0 O-C-N 119.451 -2.031 . . . . 0.0 109.565 177.962 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.559 1.322 0 CA-C-O 115.588 -2.148 . . . . 0.0 109.242 179.699 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 127.386 2.929 . . . . 0.0 109.395 179.586 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.253 1.26 0 O-C-N 120.313 -1.492 . . . . 0.0 112.818 177.197 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 122.068 0.937 . . . . 0.0 113.314 179.076 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.262 0 C-N-CA 126.475 1.91 . . . . 0.0 109.242 179.798 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 125.064 1.477 . . . . 0.0 110.223 175.865 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.269 2.131 0 C-N-CA 127.064 2.146 . . . . 0.0 114.582 178.881 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.01 0 CA-C-O 117.094 -1.948 . . . . 0.0 112.335 178.443 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-N 118.128 0.964 . . . . 0.0 108.449 179.305 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 107.265 -1.383 . . . . 0.0 107.265 176.027 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.96 0 C-N-CA 123.923 0.889 . . . . 0.0 112.835 -179.508 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.454 0 N-CA-C 114.965 1.468 . . . . 0.0 114.965 -175.512 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.31 -1.119 0 C-N-CA 125.069 1.347 . . . . 0.0 108.123 175.071 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.877 0 O-C-N 124.53 1.144 . . . . 0.0 107.935 177.233 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.956 0 CA-C-N 114.282 -1.326 . . . . 0.0 110.079 -179.896 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-O 115.956 -1.973 . . . . 0.0 112.302 178.793 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.582 0 N-CA-C 116.578 2.066 . . . . 0.0 116.578 -174.903 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.587 0 CA-C-O 122.776 1.275 . . . . 0.0 112.283 -178.935 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 122.395 2.063 . . . . 0.0 115.112 -179.522 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 177.656 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.408 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 178.354 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.124 0 O-C-N 118.351 -2.718 . . . . 0.0 114.626 -179.06 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.295 0 N-CA-C 115.988 1.847 . . . . 0.0 115.988 179.715 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.029 0 CA-C-N 120.265 1.13 . . . . 0.0 114.891 -179.614 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.284 1.034 . . . . 0.0 112.015 179.83 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 O-C-N 125.128 1.518 . . . . 0.0 111.477 -179.727 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.255 1.361 0 N-CA-C 116.907 2.188 . . . . 0.0 116.907 179.131 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 127.576 2.35 . . . . 0.0 115.605 -178.123 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.861 0 N-CA-C 117.089 2.255 . . . . 0.0 117.089 -178.524 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.061 0 CA-C-O 115.72 -2.711 . . . . 0.0 118.935 177.675 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.938 0 CA-C-N 124.112 3.956 . . . . 0.0 111.359 179.741 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-O 115.658 -2.115 . . . . 0.0 106.254 177.495 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.302 -1.488 0 O-C-N 125.464 1.727 . . . . 0.0 107.635 -179.013 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.485 0 O-C-N 125.748 1.905 . . . . 0.0 111.458 -179.631 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-O 122.061 0.934 . . . . 0.0 110.722 179.417 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.05 0 N-CA-C 106.735 -1.58 . . . . 0.0 106.735 -179.899 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 1.993 0 O-C-N 126.048 2.093 . . . . 0.0 116.175 -179.836 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.794 0 CA-C-O 117.916 -1.04 . . . . 0.0 112.616 -178.281 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.485 1.957 0 N-CA-C 107.807 -2.117 . . . . 0.0 107.807 -178.39 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 125.291 2.472 . . . . 0.0 112.724 -177.868 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.857 0 CA-C-N 110.916 -2.856 . . . . 0.0 110.415 179.197 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -0.987 0 O-C-N 126.349 2.281 . . . . 0.0 105.438 176.626 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.254 1.339 0 N-CA-C 117.822 2.527 . . . . 0.0 117.822 -176.542 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 178.837 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 103.854 -2.647 . . . . 0.0 103.854 177.048 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 CA-C-N 111.979 -2.373 . . . . 0.0 107.985 -179.277 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.318 0 N-CA-C 118.551 2.181 . . . . 0.0 118.551 -178.265 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.66 0 O-C-N 121.427 -1.043 . . . . 0.0 112.242 -179.684 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.699 0 O-C-N 123.671 0.607 . . . . 0.0 112.575 -177.127 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.875 0 CA-C-O 124.239 1.971 . . . . 0.0 110.042 -179.799 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.893 0 CA-C-N 113.39 -1.732 . . . . 0.0 108.416 -178.4 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 C--N 1.318 -0.431 0 CA-C-N 114.074 -1.421 . . . . 0.0 110.192 179.252 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 124.823 0.955 . . . . 0.0 110.032 179.939 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 1.024 0 CA-C-N 114.355 -1.293 . . . . 0.0 109.353 179.272 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.211 0 O-C-N 124.502 1.126 . . . . 0.0 110.198 178.892 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.857 0 N-CA-C 119.046 2.378 . . . . 0.0 119.046 -179.691 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.842 0 O-C-N 120.89 -1.359 . . . . 0.0 109.107 179.463 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.289 0 N-CA-C 107.059 -1.46 . . . . 0.0 107.059 178.67 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.266 1.935 0 O-C-N 125.678 1.861 . . . . 0.0 110.233 179.138 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.332 0.587 . . . . 0.0 111.913 -179.176 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 115.741 -2.076 . . . . 0.0 108.789 -177.943 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.905 0 O-C-N 127.302 2.877 . . . . 0.0 110.377 178.754 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-O 117.653 -1.165 . . . . 0.0 109.597 -179.704 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 O-C-N 128.198 3.436 . . . . 0.0 112.85 -177.76 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.252 0 O-C-N 125.09 1.494 . . . . 0.0 111.76 -178.087 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 123.848 0.859 . . . . 0.0 110.214 178.266 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.292 -1.921 0 N-CA-C 118.046 2.61 . . . . 0.0 118.046 175.687 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.065 0 C-N-CA 124.131 0.972 . . . . 0.0 109.107 177.486 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 127.394 2.934 . . . . 0.0 111.372 -177.885 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 129.938 3.295 . . . . 0.0 109.005 178.263 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.935 0 O-C-N 126.789 2.555 . . . . 0.0 113.749 -178.076 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 115.254 1.576 . . . . 0.0 115.254 -178.39 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 124.736 1.273 . . . . 0.0 109.929 178.536 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 123.992 0.917 . . . . 0.0 109.189 179.009 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.877 0 C-N-CA 123.488 0.715 . . . . 0.0 112.696 -178.454 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-O 116.966 -1.492 . . . . 0.0 111.005 -177.842 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 CA-C-O 116.73 -1.605 . . . . 0.0 110.69 -176.959 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.252 1.186 0 CA-C-N 119.62 1.1 . . . . 0.0 112.777 -178.85 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.475 0 C-N-CA 124.992 1.317 . . . . 0.0 111.694 -178.456 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 125.056 1.472 . . . . 0.0 108.273 -179.552 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 126.589 2.431 . . . . 0.0 111.642 -178.973 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.016 0 C-N-CA 120.119 -0.632 . . . . 0.0 110.522 177.552 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 114.309 1.226 . . . . 0.0 114.309 -177.778 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 125.663 1.585 . . . . 0.0 111.226 177.422 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.466 0.693 0 O-C-N 121.298 -0.876 . . . . 0.0 114.228 -179.43 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 179.205 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 119.816 -1.803 . . . . 0.0 109.691 -179.389 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 116.393 1.997 . . . . 0.0 116.393 -176.997 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 125.278 1.611 . . . . 0.0 110.313 -176.653 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 112.488 -2.142 . . . . 0.0 108.278 176.003 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 N-CA-C 104.48 -2.415 . . . . 0.0 104.48 178.48 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 125.407 1.692 . . . . 0.0 108.321 -177.714 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.291 0 O-C-N 125.895 1.997 . . . . 0.0 110.986 -175.548 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.457 0 O-C-N 126.257 2.714 . . . . 0.0 115.025 -176.49 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.259 1.569 0 O-C-N 120.427 -1.42 . . . . 0.0 113.857 177.646 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.391 0 N-CA-C 115.611 1.708 . . . . 0.0 115.611 -177.007 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.263 1.801 0 CA-C-O 115.09 -2.386 . . . . 0.0 112.78 -178.633 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.61 0 CA-C-N 120.942 1.701 . . . . 0.0 114.865 -178.072 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.057 0 C-N-CA 127.093 2.157 . . . . 0.0 111.164 -179.523 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 O-C-N 126.194 2.184 . . . . 0.0 110.455 -179.697 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 107.052 -1.462 . . . . 0.0 107.052 177.891 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.733 0 C-N-CA 126.582 1.953 . . . . 0.0 112.603 179.053 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.137 0 CA-C-N 113.168 -1.833 . . . . 0.0 111.476 -177.749 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.127 0 C-N-CA 123.83 0.852 . . . . 0.0 113.137 -179.102 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 104.198 -2.519 . . . . 0.0 104.198 177.43 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 104.785 -2.302 . . . . 0.0 104.785 178.697 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 128.53 3.644 . . . . 0.0 116.993 -175.629 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.34 0 N-CA-C 105.315 -3.114 . . . . 0.0 105.315 177.085 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.273 2.331 0 O-C-N 128.511 3.124 . . . . 0.0 106.553 179.749 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.825 0 C-N-CA 118.923 -1.111 . . . . 0.0 112.672 -177.587 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.769 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 177.512 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.244 0.795 0 CA-C-O 122.473 1.13 . . . . 0.0 108.096 176.414 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.302 0 C-N-CA 121.445 1.43 . . . . 0.0 111.894 -179.717 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 177.06 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 105.376 -2.083 . . . . 0.0 105.376 177.51 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 122.796 1.284 . . . . 0.0 110.12 -176.891 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.25 1.149 0 CA-C-N 112.626 -2.079 . . . . 0.0 112.779 179.33 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.236 0 CA-C-N 118.187 0.994 . . . . 0.0 110.704 179.836 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.916 0 O-C-N 123.48 1.253 . . . . 0.0 111.637 177.187 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 103.21 -2.885 . . . . 0.0 103.21 178.557 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.332 0 O-C-N 126.842 2.589 . . . . 0.0 112.237 -179.001 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.44 -1.645 0 N-CA-C 107.535 -1.756 . . . . 0.0 107.535 -179.071 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.936 0 O-C-N 128.116 3.385 . . . . 0.0 103.0 179.558 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 116.005 -1.95 . . . . 0.0 108.814 -179.613 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.808 0 N-CA-C 104.076 -3.61 . . . . 0.0 104.076 -179.084 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.257 1.498 0 CA-C-O 115.695 -2.098 . . . . 0.0 109.497 -178.031 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.717 0 N-CA-C 103.711 -2.7 . . . . 0.0 103.711 -178.553 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.498 -1.041 0 O-C-N 127.717 3.136 . . . . 0.0 113.543 -179.592 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 106.357 -1.72 . . . . 0.0 106.357 -177.69 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.501 2.977 0 O-C-N 126.313 2.258 . . . . 0.0 107.645 -179.42 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.019 -2.459 . . . . 0.0 110.271 -177.678 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.342 1 O-C-N 113.511 -5.743 . . . . 0.0 100.632 -169.515 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.272 0 CA-C-O 115.174 -2.094 . . . . 0.0 112.082 176.839 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.835 0 CA-C-N 120.74 1.609 . . . . 0.0 109.548 177.818 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.399 0 CA-C-N 112.825 -1.988 . . . . 0.0 110.639 178.297 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.307 0 O-C-N 120.971 -1.081 . . . . 0.0 110.458 178.538 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.165 0 O-C-N 125.816 1.947 . . . . 0.0 110.27 -178.365 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.07 0 O-C-N 127.045 2.716 . . . . 0.0 107.026 178.941 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.606 0 CA-C-O 122.233 1.016 . . . . 0.0 112.91 177.936 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.905 0 O-C-N 117.399 -3.313 . . . . 0.0 114.562 179.708 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.571 1.786 0 O-C-N 125.633 1.833 . . . . 0.0 108.138 179.496 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.299 -1.6 1 O-C-N 129.233 4.083 . . . . 0.0 109.772 179.175 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 119.982 -1.699 . . . . 0.0 111.873 179.051 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 125.109 1.363 . . . . 0.0 112.785 178.75 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.29 -2.008 0 C-N-CA 127.969 2.7 . . . . 0.0 114.303 177.63 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.276 0 C-N-CA 128.282 2.633 . . . . 0.0 111.505 178.233 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 C-N-CA 117.58 -1.648 . . . . 0.0 107.387 177.79 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.287 -2.115 0 CA-C-O 117.249 -1.358 . . . . 0.0 109.014 -179.82 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.312 0 C-N-CA 122.869 2.38 . . . . 0.0 111.717 176.706 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 332' ' ' ASN . . . . . . . . . . . . . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 0.975 0 O-C-N 118.691 -2.506 . . . . 0.0 115.675 -179.05 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.063 0 C-N-CA 126.592 1.957 . . . . 0.0 110.913 -176.601 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.957 0 C-N-CA 123.409 2.739 . . . . 0.0 115.537 177.709 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 121.279 1.854 . . . . 0.0 113.438 177.994 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 124.968 1.307 . . . . 0.0 107.985 -179.993 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.85 0 C-N-CA 119.053 -1.059 . . . . 0.0 109.723 179.134 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.632 -0.667 . . . . 0.0 109.279 179.111 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 114.232 -1.349 . . . . 0.0 109.709 179.892 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 119.529 1.059 . . . . 0.0 111.976 -177.947 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-O 117.122 -1.418 . . . . 0.0 111.893 -178.047 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 115.081 1.511 . . . . 0.0 115.081 -178.973 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.258 1.505 0 CA-C-N 114.565 -1.198 . . . . 0.0 109.163 179.734 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.309 -1.171 0 CA-C-O 124.885 2.278 . . . . 0.0 109.439 178.28 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.022 0 CA-C-N 112.738 -2.028 . . . . 0.0 111.33 178.746 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.753 0 CA-C-N 121.095 1.77 . . . . 0.0 112.744 179.842 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.255 1.356 0 CA-C-O 118.43 -0.795 . . . . 0.0 112.271 -176.306 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 O-C-N 124.085 0.866 . . . . 0.0 109.155 -179.376 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-O 115.175 -2.345 . . . . 0.0 110.902 -178.162 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.307 -1.24 0 O-C-N 127.631 3.082 . . . . 0.0 111.031 178.977 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.774 0 C-N-CA 127.454 2.302 . . . . 0.0 113.745 -177.108 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 125.993 2.058 . . . . 0.0 112.198 -179.909 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.255 1.413 0 CA-C-N 121.359 1.89 . . . . 0.0 114.795 179.874 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.589 0 C-N-CA 124.765 1.226 . . . . 0.0 111.429 179.595 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 178.896 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 178.197 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 O-C-N 124.805 1.316 . . . . 0.0 110.037 -178.678 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 113.641 -1.618 . . . . 0.0 110.995 178.351 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 127.149 2.18 . . . . 0.0 112.521 -178.501 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 113.655 -1.612 . . . . 0.0 111.917 179.814 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-O 116.747 -1.597 . . . . 0.0 111.624 -178.209 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 126.491 2.369 . . . . 0.0 107.553 178.892 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.03 0 C-N-CA 126.379 1.871 . . . . 0.0 113.108 179.301 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.611 -179.2 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.17 0 O-C-N 124.445 1.091 . . . . 0.0 108.249 178.132 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 116.605 -1.664 . . . . 0.0 112.095 179.084 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.534 0 N-CA-C 115.921 1.823 . . . . 0.0 115.921 -179.718 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 O-C-N 124.446 1.092 . . . . 0.0 111.11 -177.902 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.131 0 O-C-N 125.46 1.725 . . . . 0.0 111.403 -178.698 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.069 0 C-N-CA 127.267 2.227 . . . . 0.0 107.407 179.15 . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' A' A ' 500' ' ' MXT . . . . . 0.568 ' O11' H232 ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 600' ' ' MXT . . . . . 0.516 ' O11' ' C22' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.694 ' O ' ' O11' ' A' ' 500' ' ' MXT . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 1.051 ' CA ' H121 ' A' ' 500' ' ' MXT . 29.2 m -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 1.034 ' H ' H122 ' A' ' 500' ' ' MXT . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.506 2.331 0 O-C-N 125.664 1.852 . . . . 0.0 106.857 168.529 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.726 1 O-C-N 129.193 4.26 . . . . 0.0 107.999 -175.262 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.92 0 CA-C-N 120.999 1.727 . . . . 0.0 112.65 -177.89 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.209 0 CA-C-N 114.205 -1.361 . . . . 0.0 110.965 -178.027 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.219 0 C-N-CA 126.995 2.118 . . . . 0.0 110.217 -177.008 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.462 0 O-C-N 120.881 -1.137 . . . . 0.0 109.804 -179.953 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.578 0 N-CA-C 105.938 -1.875 . . . . 0.0 105.938 -177.804 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 127.178 2.799 . . . . 0.0 107.84 179.206 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.777 0 CA-C-O 115.401 -2.238 . . . . 0.0 106.507 179.131 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 C--N 1.277 -2.549 1 O-C-N 130.692 4.995 . . . . 0.0 106.304 176.822 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.145 0 CA-C-O 113.797 -3.001 . . . . 0.0 105.882 -179.849 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.446 0 CA-C-N 121.17 1.805 . . . . 0.0 110.032 -177.747 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.78 0 O-C-N 125.943 2.027 . . . . 0.0 105.817 -176.619 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.254 1.321 0 O-C-N 127.522 3.014 . . . . 0.0 112.722 -176.343 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.944 0 O-C-N 127.188 2.805 . . . . 0.0 112.272 177.674 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.316 -0.89 0 O-C-N 119.073 -2.267 . . . . 0.0 111.889 -179.667 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.332 -0.169 0 O-C-N 126.689 2.493 . . . . 0.0 109.7 -174.854 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.722 0 C-N-CA 124.743 3.628 . . . . 0.0 111.89 179.718 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.847 0 CA-C-N 111.773 -2.467 . . . . 0.0 106.724 179.19 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.315 -1.226 0 O-C-N 127.441 3.337 . . . . 0.0 107.893 178.983 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.5 0 O-C-N 124.308 1.689 . . . . 0.0 108.366 178.844 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.589 0 O-C-N 127.043 2.715 . . . . 0.0 112.16 179.994 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.995 0 C-N-CA 126.715 2.006 . . . . 0.0 114.918 -174.467 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.57 1.716 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 175.028 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.294 0 O-C-N 124.927 1.392 . . . . 0.0 113.695 -175.783 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.413 0 CA-C-O 117.415 -1.279 . . . . 0.0 112.79 -179.447 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.253 1.286 0 CA-C-N 121.749 2.068 . . . . 0.0 114.946 179.61 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.311 -1.41 0 C-N-CA 122.136 1.891 . . . . 0.0 113.347 178.064 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.9 0 C-N-CA 129.758 3.223 . . . . 0.0 112.279 178.897 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.053 0 O-C-N 119.364 -2.085 . . . . 0.0 109.552 177.941 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.334 0 CA-C-O 115.622 -2.132 . . . . 0.0 109.279 179.671 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 127.367 2.917 . . . . 0.0 109.406 179.595 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.253 1.256 0 O-C-N 120.278 -1.514 . . . . 0.0 112.904 177.107 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 122.002 0.906 . . . . 0.0 113.323 179.053 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.306 -1.303 0 C-N-CA 126.485 1.914 . . . . 0.0 109.233 179.726 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.788 0 O-C-N 125.145 1.528 . . . . 0.0 110.258 175.867 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.174 0 C-N-CA 127.082 2.153 . . . . 0.0 114.552 178.842 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.005 0 CA-C-O 117.041 -1.977 . . . . 0.0 112.331 178.466 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 118.171 0.985 . . . . 0.0 108.505 179.22 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 176.079 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.248 0.987 0 C-N-CA 123.913 0.885 . . . . 0.0 112.855 -179.491 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.477 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 -175.568 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.109 0 C-N-CA 125.083 1.353 . . . . 0.0 108.122 175.102 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.888 0 O-C-N 124.499 1.125 . . . . 0.0 107.979 177.211 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.947 0 CA-C-N 114.361 -1.29 . . . . 0.0 110.072 -179.893 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-O 115.976 -1.964 . . . . 0.0 112.273 178.835 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.581 0 C-N-CA 126.905 2.082 . . . . 0.0 116.511 -174.858 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.603 0 CA-C-O 122.702 1.239 . . . . 0.0 112.327 -178.894 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.448 -1.198 0 C-N-CA 122.347 2.031 . . . . 0.0 115.146 -179.566 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 107.521 -1.289 . . . . 0.0 107.521 177.616 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.441 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 178.33 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.116 0 O-C-N 118.32 -2.738 . . . . 0.0 114.645 -179.102 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.255 1.346 0 N-CA-C 115.928 1.825 . . . . 0.0 115.928 179.713 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.504 -1.022 0 CA-C-N 120.319 1.15 . . . . 0.0 114.85 -179.601 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.219 1.007 . . . . 0.0 112.047 179.861 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 O-C-N 125.063 1.477 . . . . 0.0 111.507 -179.769 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.255 1.352 0 N-CA-C 116.905 2.187 . . . . 0.0 116.905 179.082 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 127.611 2.365 . . . . 0.0 115.551 -177.997 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.246 0.89 0 N-CA-C 117.11 2.263 . . . . 0.0 117.11 -178.527 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.076 0 CA-C-O 115.737 -2.702 . . . . 0.0 118.92 177.688 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.922 0 CA-C-N 124.122 3.961 . . . . 0.0 111.379 179.706 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-O 115.589 -2.148 . . . . 0.0 106.29 177.54 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.514 0 O-C-N 125.512 1.758 . . . . 0.0 107.665 -178.969 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.481 0 O-C-N 125.792 1.933 . . . . 0.0 111.528 -179.728 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-O 122.131 0.967 . . . . 0.0 110.721 179.422 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.04 0 N-CA-C 106.716 -1.587 . . . . 0.0 106.716 -179.904 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 1.986 0 O-C-N 126.034 2.084 . . . . 0.0 116.215 -179.813 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.802 0 CA-C-O 117.951 -1.023 . . . . 0.0 112.554 -178.253 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 1.984 0 N-CA-C 107.806 -2.117 . . . . 0.0 107.806 -178.438 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 125.378 2.513 . . . . 0.0 112.682 -177.842 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.246 0.904 0 CA-C-N 110.879 -2.873 . . . . 0.0 110.411 179.264 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -0.997 0 O-C-N 126.396 2.31 . . . . 0.0 105.392 176.642 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.387 0 N-CA-C 117.83 2.53 . . . . 0.0 117.83 -176.609 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.829 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 103.775 -2.676 . . . . 0.0 103.775 177.115 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 CA-C-N 112.032 -2.349 . . . . 0.0 108.039 -179.353 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.319 0 N-CA-C 118.539 2.176 . . . . 0.0 118.539 -178.207 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.243 0.73 0 O-C-N 121.449 -1.03 . . . . 0.0 112.237 -179.685 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.664 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -177.196 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.866 0 CA-C-O 124.232 1.967 . . . . 0.0 110.046 -179.78 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.869 0 CA-C-N 113.417 -1.72 . . . . 0.0 108.404 -178.435 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.463 0.496 0 CA-C-N 114.045 -1.434 . . . . 0.0 110.156 179.291 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 124.813 0.949 . . . . 0.0 110.045 179.904 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.247 0.944 0 CA-C-N 114.324 -1.307 . . . . 0.0 109.364 179.286 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.216 0 O-C-N 124.601 1.188 . . . . 0.0 110.215 178.864 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.31 -0.862 0 N-CA-C 119.022 2.369 . . . . 0.0 119.022 -179.657 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.818 0 O-C-N 120.885 -1.362 . . . . 0.0 109.105 179.5 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 178.607 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.889 0 O-C-N 125.742 1.901 . . . . 0.0 110.248 179.125 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.308 0.575 . . . . 0.0 111.905 -179.171 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 115.78 -2.057 . . . . 0.0 108.804 -177.915 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.293 -1.881 0 O-C-N 127.248 2.842 . . . . 0.0 110.327 178.74 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 117.67 -1.157 . . . . 0.0 109.558 -179.675 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 O-C-N 128.132 3.395 . . . . 0.0 112.836 -177.709 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.254 1.297 0 O-C-N 125.141 1.526 . . . . 0.0 111.691 -178.051 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 123.892 0.877 . . . . 0.0 110.208 178.271 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.958 0 N-CA-C 118.045 2.609 . . . . 0.0 118.045 175.662 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.045 0 C-N-CA 124.127 0.971 . . . . 0.0 109.123 177.48 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 127.389 2.931 . . . . 0.0 111.381 -177.957 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.377 0 C-N-CA 129.986 3.314 . . . . 0.0 108.987 178.336 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.96 0 O-C-N 126.757 2.536 . . . . 0.0 113.78 -178.15 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 115.298 1.592 . . . . 0.0 115.298 -178.45 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 124.787 1.304 . . . . 0.0 109.897 178.549 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.388 0 C-N-CA 124.047 0.939 . . . . 0.0 109.191 179.003 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.885 0 C-N-CA 123.468 0.707 . . . . 0.0 112.705 -178.474 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.239 0 CA-C-O 116.963 -1.494 . . . . 0.0 110.99 -177.842 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 CA-C-O 116.729 -1.605 . . . . 0.0 110.687 -176.944 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.147 0 CA-C-N 119.576 1.08 . . . . 0.0 112.838 -178.878 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 124.926 1.29 . . . . 0.0 111.657 -178.449 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 125.008 1.443 . . . . 0.0 108.246 -179.513 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.744 0 O-C-N 126.554 2.408 . . . . 0.0 111.624 -178.961 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 0.983 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.529 177.563 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 -177.781 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 125.677 1.591 . . . . 0.0 111.227 177.406 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 CA--C 1.503 -0.675 0 O-C-N 121.321 -0.862 . . . . 0.0 114.283 -179.409 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.51 -0.586 0 N-CA-C 113.253 0.835 . . . . 0.0 113.253 179.237 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 119.87 -1.769 . . . . 0.0 109.644 -179.324 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.893 0 N-CA-C 116.38 1.993 . . . . 0.0 116.38 -176.984 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 125.268 1.605 . . . . 0.0 110.331 -176.651 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 112.553 -2.112 . . . . 0.0 108.305 176.052 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 N-CA-C 104.518 -2.401 . . . . 0.0 104.518 178.464 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 125.386 1.679 . . . . 0.0 108.286 -177.687 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.304 -1.232 0 O-C-N 125.89 1.994 . . . . 0.0 110.965 -175.539 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.473 0 O-C-N 126.289 2.731 . . . . 0.0 115.074 -176.535 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.527 0 O-C-N 120.431 -1.418 . . . . 0.0 113.867 177.68 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.254 1.339 0 N-CA-C 115.625 1.713 . . . . 0.0 115.625 -176.996 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.263 1.815 0 CA-C-O 115.114 -2.374 . . . . 0.0 112.795 -178.688 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.259 1.602 0 CA-C-N 120.927 1.694 . . . . 0.0 114.882 -178.024 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.311 -1.066 0 C-N-CA 127.054 2.142 . . . . 0.0 111.179 -179.56 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 O-C-N 126.218 2.199 . . . . 0.0 110.451 -179.736 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 125.32 1.448 . . . . 0.0 107.095 177.895 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.716 0 C-N-CA 126.565 1.946 . . . . 0.0 112.603 179.023 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.179 0 CA-C-N 113.219 -1.809 . . . . 0.0 111.408 -177.723 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.14 0 C-N-CA 123.84 0.856 . . . . 0.0 113.188 -179.056 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 104.156 -2.535 . . . . 0.0 104.156 177.431 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 104.757 -2.312 . . . . 0.0 104.757 178.695 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 128.477 3.611 . . . . 0.0 116.93 -175.641 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.316 0 N-CA-C 105.329 -3.108 . . . . 0.0 105.329 177.064 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.366 0 O-C-N 128.542 3.142 . . . . 0.0 106.528 179.816 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.244 0.812 0 C-N-CA 118.91 -1.116 . . . . 0.0 112.668 -177.619 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.737 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 177.546 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.244 0.789 0 CA-C-O 122.505 1.145 . . . . 0.0 108.07 176.415 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.302 0 C-N-CA 121.488 1.459 . . . . 0.0 111.874 -179.745 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 177.029 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 105.404 -2.073 . . . . 0.0 105.404 177.467 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 122.808 1.29 . . . . 0.0 110.119 -176.896 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.179 0 CA-C-N 112.649 -2.069 . . . . 0.0 112.756 179.69 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.219 0 CA-C-N 118.198 0.999 . . . . 0.0 110.686 -179.991 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.919 0 O-C-N 123.466 1.245 . . . . 0.0 111.647 176.897 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.553 1.058 0 N-CA-C 103.18 -2.896 . . . . 0.0 103.18 178.564 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.351 0 O-C-N 126.925 2.64 . . . . 0.0 112.209 -178.714 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.438 -1.743 0 N-CA-C 107.595 -1.733 . . . . 0.0 107.595 -179.307 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.973 0 O-C-N 128.13 3.394 . . . . 0.0 102.997 -179.897 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.974 0 CA-C-O 115.973 -1.965 . . . . 0.0 108.837 179.36 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.815 0 N-CA-C 104.123 -3.591 . . . . 0.0 104.123 -179.613 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.257 1.469 0 CA-C-O 115.687 -2.101 . . . . 0.0 109.465 -177.891 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.732 0 N-CA-C 103.697 -2.705 . . . . 0.0 103.697 -177.995 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.089 0 O-C-N 127.724 3.14 . . . . 0.0 113.53 -179.268 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 106.309 -1.737 . . . . 0.0 106.309 -177.156 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.501 2.971 0 O-C-N 126.317 2.261 . . . . 0.0 107.658 -179.522 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 118.686 -2.655 . . . . 0.0 110.271 -177.077 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--N 1.301 -1.502 1 O-C-N 114.903 -4.873 . . . . 0.0 100.648 -177.236 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.291 0 CA-C-O 115.239 -2.067 . . . . 0.0 112.07 179.993 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.824 0 CA-C-N 120.709 1.595 . . . . 0.0 109.546 177.837 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.409 0 CA-C-N 112.85 -1.977 . . . . 0.0 110.625 178.288 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.311 0 O-C-N 120.917 -1.114 . . . . 0.0 110.433 178.528 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.148 0 O-C-N 125.79 1.931 . . . . 0.0 110.284 -178.371 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.094 0 O-C-N 127.007 2.692 . . . . 0.0 107.043 178.923 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.623 0 CA-C-O 122.233 1.016 . . . . 0.0 112.937 177.881 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.896 0 O-C-N 117.437 -3.289 . . . . 0.0 114.549 179.712 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.8 0 O-C-N 125.638 1.836 . . . . 0.0 108.123 179.502 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.569 1 O-C-N 129.24 4.088 . . . . 0.0 109.753 179.228 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 120.066 -1.646 . . . . 0.0 111.897 179.079 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.504 0 C-N-CA 125.104 1.362 . . . . 0.0 112.751 178.726 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.055 0 C-N-CA 128.016 2.722 . . . . 0.0 114.251 -178.915 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.275 0 C-N-CA 128.273 2.629 . . . . 0.0 111.493 -179.051 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 C-N-CA 117.616 -1.634 . . . . 0.0 107.408 -179.885 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.1 0 CA-C-O 117.294 -1.336 . . . . 0.0 108.997 179.942 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.314 0 C-N-CA 122.883 2.388 . . . . 0.0 111.749 178.65 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 332' ' ' ASN . . . . . . . . . . . . . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.249 1.027 0 O-C-N 118.586 -2.571 . . . . 0.0 115.721 179.975 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.061 0 C-N-CA 126.621 1.968 . . . . 0.0 110.9 177.991 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.928 0 C-N-CA 123.426 2.751 . . . . 0.0 115.454 178.941 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-N 121.279 1.854 . . . . 0.0 113.466 178.013 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 125.018 1.327 . . . . 0.0 108.026 179.983 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.846 0 C-N-CA 119.088 -1.045 . . . . 0.0 109.729 179.135 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.582 -0.699 . . . . 0.0 109.266 179.146 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-N 114.218 -1.355 . . . . 0.0 109.765 179.848 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 119.556 1.071 . . . . 0.0 111.972 -177.99 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-O 117.114 -1.422 . . . . 0.0 111.864 -178.031 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 115.078 1.51 . . . . 0.0 115.078 -178.964 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.489 0 CA-C-N 114.57 -1.196 . . . . 0.0 109.166 179.722 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-O 124.896 2.284 . . . . 0.0 109.39 178.346 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.032 0 CA-C-N 112.728 -2.033 . . . . 0.0 111.308 178.798 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.731 0 CA-C-N 121.136 1.789 . . . . 0.0 112.744 179.851 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 CA-C-O 118.431 -0.795 . . . . 0.0 112.294 -176.311 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 O-C-N 124.133 0.896 . . . . 0.0 109.147 -179.362 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-O 115.22 -2.324 . . . . 0.0 110.899 -178.133 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.227 0 O-C-N 127.596 3.06 . . . . 0.0 111.038 179.001 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.294 -1.821 0 C-N-CA 127.424 2.289 . . . . 0.0 113.744 -177.149 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 125.984 2.052 . . . . 0.0 112.207 -179.9 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.393 0 CA-C-N 121.262 1.846 . . . . 0.0 114.818 179.869 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.598 0 C-N-CA 124.772 1.229 . . . . 0.0 111.408 179.577 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 178.907 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 178.243 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 O-C-N 124.817 1.323 . . . . 0.0 110.025 -178.656 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-N 113.665 -1.607 . . . . 0.0 111.059 178.336 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 127.159 2.184 . . . . 0.0 112.499 -178.503 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 113.654 -1.612 . . . . 0.0 111.98 179.761 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-O 116.757 -1.592 . . . . 0.0 111.653 -178.284 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 126.498 2.374 . . . . 0.0 107.522 178.938 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.042 0 C-N-CA 126.441 1.896 . . . . 0.0 113.16 179.212 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.113 -0.948 . . . . 0.0 109.597 -179.16 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.308 -1.211 0 O-C-N 124.486 1.116 . . . . 0.0 108.214 178.135 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-O 116.573 -1.679 . . . . 0.0 112.095 179.032 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.513 0 N-CA-C 115.89 1.811 . . . . 0.0 115.89 -179.687 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 O-C-N 124.463 1.102 . . . . 0.0 111.072 -177.908 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.136 0 O-C-N 125.425 1.703 . . . . 0.0 111.349 -178.619 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.071 0 C-N-CA 127.247 2.219 . . . . 0.0 107.48 179.118 . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' A' A ' 500' ' ' MXT . . . . . 1.051 H121 ' CA ' ' A' ' 41' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 600' ' ' MXT . . . . . 0.809 ' O11' H232 ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.449 ' SG ' ' O ' ' A' ' 41' ' ' CYS . 16.9 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.299 0 O-C-N 125.664 1.852 . . . . 0.0 106.855 170.075 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.735 1 O-C-N 129.187 4.256 . . . . 0.0 107.974 -173.729 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.917 0 CA-C-N 121.003 1.729 . . . . 0.0 112.598 -179.323 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.502 2.168 0 CA-C-N 114.227 -1.351 . . . . 0.0 110.939 179.518 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.2 0 C-N-CA 127.007 2.123 . . . . 0.0 110.236 -176.605 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.46 0 O-C-N 120.889 -1.132 . . . . 0.0 109.837 -172.397 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.587 0 N-CA-C 105.887 -1.894 . . . . 0.0 105.887 -174.971 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 127.166 2.791 . . . . 0.0 107.798 -177.971 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.572 1.789 0 CA-C-O 115.437 -2.221 . . . . 0.0 106.426 176.58 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.556 1 O-C-N 130.654 4.971 . . . . 0.0 106.332 178.287 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.154 0 CA-C-O 113.742 -3.027 . . . . 0.0 105.878 -179.831 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.466 0 CA-C-N 121.156 1.798 . . . . 0.0 110.032 -177.812 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.789 0 O-C-N 125.864 1.977 . . . . 0.0 105.792 -176.598 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.348 0 O-C-N 127.519 3.012 . . . . 0.0 112.74 -176.34 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.937 0 O-C-N 127.252 2.845 . . . . 0.0 112.258 177.639 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.931 0 O-C-N 119.068 -2.27 . . . . 0.0 111.896 -179.653 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.332 -0.193 0 O-C-N 126.632 2.457 . . . . 0.0 109.72 -174.922 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.738 0 C-N-CA 124.699 3.599 . . . . 0.0 111.953 179.718 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.845 0 CA-C-N 111.685 -2.507 . . . . 0.0 106.709 179.193 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.262 0 O-C-N 127.522 3.38 . . . . 0.0 107.884 178.996 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.52 0 C-N-CA 121.828 1.685 . . . . 0.0 108.305 178.871 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.58 0 O-C-N 127.079 2.737 . . . . 0.0 112.186 179.889 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.989 0 C-N-CA 126.75 2.02 . . . . 0.0 114.862 -174.391 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.7 0 N-CA-C 107.726 -1.212 . . . . 0.0 107.726 175.011 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 124.859 1.35 . . . . 0.0 113.647 -175.821 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.404 0 CA-C-O 117.412 -1.28 . . . . 0.0 112.807 -179.431 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.304 0 CA-C-N 121.729 2.058 . . . . 0.0 114.938 179.649 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.485 0 C-N-CA 122.195 1.93 . . . . 0.0 113.272 178.099 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.292 -1.898 0 C-N-CA 129.772 3.229 . . . . 0.0 112.284 178.872 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.045 0 O-C-N 119.465 -2.022 . . . . 0.0 109.542 177.981 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.336 0 CA-C-O 115.519 -2.182 . . . . 0.0 109.221 179.725 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 127.412 2.945 . . . . 0.0 109.385 179.561 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.233 0 O-C-N 120.281 -1.512 . . . . 0.0 112.885 177.183 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 122.022 0.915 . . . . 0.0 113.347 179.067 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.28 0 C-N-CA 126.458 1.903 . . . . 0.0 109.239 179.753 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.296 -1.741 0 O-C-N 125.066 1.478 . . . . 0.0 110.253 175.897 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.161 0 C-N-CA 127.077 2.151 . . . . 0.0 114.568 178.822 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.027 0 CA-C-O 117.098 -1.946 . . . . 0.0 112.369 178.458 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-N 118.121 0.96 . . . . 0.0 108.486 179.336 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 176.032 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.943 0 C-N-CA 123.934 0.894 . . . . 0.0 112.846 -179.485 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.468 0 N-CA-C 115.019 1.489 . . . . 0.0 115.019 -175.544 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.31 -1.111 0 C-N-CA 124.98 1.312 . . . . 0.0 108.066 175.073 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 177.256 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.21 -0.981 0 CA-C-N 114.276 -1.329 . . . . 0.0 110.02 -179.862 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-O 115.982 -1.961 . . . . 0.0 112.306 178.777 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.548 0 C-N-CA 126.858 2.063 . . . . 0.0 116.547 -174.855 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.577 0 CA-C-O 122.741 1.257 . . . . 0.0 112.276 -178.925 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 122.399 2.066 . . . . 0.0 115.129 -179.57 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 177.613 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.257 1.452 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 178.314 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.498 -1.057 0 O-C-N 118.3 -2.75 . . . . 0.0 114.607 -179.032 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.33 0 N-CA-C 115.984 1.846 . . . . 0.0 115.984 179.694 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.026 0 CA-C-N 120.284 1.137 . . . . 0.0 114.867 -179.645 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.253 1.021 . . . . 0.0 112.011 179.862 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 O-C-N 125.038 1.461 . . . . 0.0 111.456 -179.744 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.29 0 N-CA-C 116.913 2.19 . . . . 0.0 116.913 179.151 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 127.637 2.375 . . . . 0.0 115.558 -178.074 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.838 0 N-CA-C 117.109 2.263 . . . . 0.0 117.109 -178.544 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.07 0 CA-C-O 115.65 -2.75 . . . . 0.0 118.893 177.678 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.29 -1.98 0 CA-C-N 124.155 3.977 . . . . 0.0 111.398 179.701 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-O 115.65 -2.119 . . . . 0.0 106.305 177.558 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.302 -1.474 0 O-C-N 125.45 1.719 . . . . 0.0 107.618 -178.975 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.46 0 O-C-N 125.828 1.955 . . . . 0.0 111.46 -179.626 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-O 122.173 0.987 . . . . 0.0 110.666 179.482 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.05 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 -179.892 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 1.981 0 O-C-N 125.997 2.061 . . . . 0.0 116.216 -179.799 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.774 0 CA-C-O 117.99 -1.005 . . . . 0.0 112.623 -178.226 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.485 1.96 0 N-CA-C 107.798 -2.121 . . . . 0.0 107.798 -178.417 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 125.341 2.496 . . . . 0.0 112.65 -177.779 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.246 0.871 0 CA-C-N 110.91 -2.859 . . . . 0.0 110.402 179.236 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.314 -0.956 0 O-C-N 126.319 2.262 . . . . 0.0 105.43 176.641 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.391 0 N-CA-C 117.777 2.51 . . . . 0.0 117.777 -176.501 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 178.823 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 103.856 -2.646 . . . . 0.0 103.856 177.048 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 CA-C-N 112.03 -2.35 . . . . 0.0 107.959 -179.241 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.252 1.258 0 N-CA-C 118.519 2.168 . . . . 0.0 118.519 -178.244 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.696 0 O-C-N 121.482 -1.011 . . . . 0.0 112.252 -179.671 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.692 0 N-CA-C 112.624 0.601 . . . . 0.0 112.624 -177.193 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 124.235 1.969 . . . . 0.0 110.067 -179.802 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-N 113.439 -1.71 . . . . 0.0 108.401 -178.426 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.463 0.499 0 CA-C-N 113.991 -1.459 . . . . 0.0 110.209 179.268 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 124.809 0.946 . . . . 0.0 109.996 179.936 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.984 0 CA-C-N 114.382 -1.281 . . . . 0.0 109.342 179.317 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.201 0 O-C-N 124.51 1.131 . . . . 0.0 110.179 178.888 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 CA--C 1.501 -0.803 0 N-CA-C 119.068 2.387 . . . . 0.0 119.068 -179.664 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.835 0 O-C-N 120.858 -1.378 . . . . 0.0 109.059 179.529 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 107.062 -1.458 . . . . 0.0 107.062 178.608 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.898 0 O-C-N 125.695 1.872 . . . . 0.0 110.272 179.136 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.326 0.584 . . . . 0.0 111.914 -179.172 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 115.746 -2.073 . . . . 0.0 108.776 -177.901 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.293 -1.867 0 O-C-N 127.254 2.846 . . . . 0.0 110.398 178.714 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 117.639 -1.172 . . . . 0.0 109.597 -179.717 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 O-C-N 128.153 3.408 . . . . 0.0 112.814 -177.743 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.254 1.302 0 O-C-N 125.122 1.514 . . . . 0.0 111.73 -178.038 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.318 -0.761 0 C-N-CA 123.858 0.863 . . . . 0.0 110.241 178.224 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 118.021 2.6 . . . . 0.0 118.021 175.641 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.024 0 C-N-CA 124.107 0.963 . . . . 0.0 109.131 177.487 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 127.446 2.966 . . . . 0.0 111.372 -177.916 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 129.98 3.312 . . . . 0.0 109.014 178.279 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.962 0 O-C-N 126.754 2.534 . . . . 0.0 113.758 -178.112 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 115.256 1.576 . . . . 0.0 115.256 -178.395 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 124.727 1.267 . . . . 0.0 109.988 178.502 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.404 0 C-N-CA 123.992 0.917 . . . . 0.0 109.182 178.997 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.885 0 C-N-CA 123.445 0.698 . . . . 0.0 112.679 -178.415 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-O 117.015 -1.469 . . . . 0.0 110.97 -177.803 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.641 0 CA-C-O 116.729 -1.605 . . . . 0.0 110.701 -176.944 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.138 0 CA-C-N 119.562 1.074 . . . . 0.0 112.821 -178.854 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.431 -1.406 0 C-N-CA 124.929 1.292 . . . . 0.0 111.656 -178.472 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 125.039 1.462 . . . . 0.0 108.302 -179.533 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 126.554 2.409 . . . . 0.0 111.635 -178.966 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.249 1.037 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.513 177.556 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -177.741 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.543 0 C-N-CA 125.637 1.575 . . . . 0.0 111.216 177.425 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.466 0.654 0 O-C-N 121.324 -0.86 . . . . 0.0 114.248 -179.457 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.508 -0.64 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 179.238 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 119.786 -1.821 . . . . 0.0 109.606 -179.318 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 116.356 1.984 . . . . 0.0 116.356 -176.967 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.306 -1.295 0 O-C-N 125.214 1.571 . . . . 0.0 110.316 -176.662 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 112.53 -2.123 . . . . 0.0 108.285 176.092 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 N-CA-C 104.555 -2.387 . . . . 0.0 104.555 178.428 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 125.444 1.715 . . . . 0.0 108.276 -177.646 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.289 0 O-C-N 125.866 1.979 . . . . 0.0 110.992 -175.568 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.442 0 O-C-N 126.283 2.728 . . . . 0.0 115.023 -176.5 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.259 1.568 0 O-C-N 120.411 -1.431 . . . . 0.0 113.827 177.687 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.256 1.409 0 N-CA-C 115.555 1.687 . . . . 0.0 115.555 -176.951 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.263 1.803 0 CA-C-O 115.09 -2.386 . . . . 0.0 112.781 -178.712 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.607 0 CA-C-N 120.895 1.68 . . . . 0.0 114.861 -178.009 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.045 0 C-N-CA 127.012 2.125 . . . . 0.0 111.207 -179.56 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 O-C-N 126.229 2.206 . . . . 0.0 110.463 -179.752 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 125.348 1.459 . . . . 0.0 107.066 177.874 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.725 0 C-N-CA 126.587 1.955 . . . . 0.0 112.585 178.996 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.183 0 CA-C-N 113.209 -1.814 . . . . 0.0 111.39 -177.688 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.145 0 C-N-CA 123.879 0.872 . . . . 0.0 113.164 -179.069 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 104.162 -2.532 . . . . 0.0 104.162 177.474 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 104.824 -2.287 . . . . 0.0 104.824 178.66 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 128.476 3.61 . . . . 0.0 116.997 -175.618 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.321 0 N-CA-C 105.322 -3.111 . . . . 0.0 105.322 177.083 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.354 0 O-C-N 128.499 3.117 . . . . 0.0 106.538 179.782 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.848 0 C-N-CA 118.97 -1.092 . . . . 0.0 112.681 -177.61 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.77 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 177.539 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.837 0 CA-C-O 122.456 1.122 . . . . 0.0 108.078 176.474 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.299 0 C-N-CA 121.459 1.439 . . . . 0.0 111.864 -179.694 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 177.043 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 105.362 -2.088 . . . . 0.0 105.362 177.52 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 122.769 1.271 . . . . 0.0 110.109 -176.901 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.192 0 CA-C-N 112.631 -2.077 . . . . 0.0 112.773 179.493 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.307 -1.241 0 CA-C-N 118.16 0.98 . . . . 0.0 110.702 179.71 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.95 0 O-C-N 123.501 1.264 . . . . 0.0 111.657 177.368 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.021 0 N-CA-C 103.178 -2.897 . . . . 0.0 103.178 178.531 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.306 -1.318 0 O-C-N 126.864 2.602 . . . . 0.0 112.279 -178.599 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.702 0 N-CA-C 107.552 -1.749 . . . . 0.0 107.552 179.663 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.944 0 O-C-N 128.143 3.402 . . . . 0.0 102.976 179.534 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.988 0 CA-C-O 116.008 -1.948 . . . . 0.0 108.827 179.87 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.544 1.853 0 N-CA-C 104.094 -3.602 . . . . 0.0 104.094 -179.989 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.535 0 CA-C-O 115.654 -2.117 . . . . 0.0 109.509 -179.406 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.742 0 N-CA-C 103.68 -2.711 . . . . 0.0 103.68 -176.87 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.498 -1.038 0 O-C-N 127.773 3.171 . . . . 0.0 113.53 -176.953 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 106.314 -1.736 . . . . 0.0 106.314 -177.727 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.958 0 O-C-N 126.298 2.249 . . . . 0.0 107.627 -178.889 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 120.457 -1.614 . . . . 0.0 110.271 -179.237 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.253 1.282 0 N-CA-C 100.648 -3.834 . . . . 0.0 100.648 177.137 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.445 -1.34 0 CA-C-O 115.215 -2.077 . . . . 0.0 112.108 -178.943 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.807 0 CA-C-N 120.712 1.596 . . . . 0.0 109.53 177.813 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.274 2.393 0 CA-C-N 112.851 -1.977 . . . . 0.0 110.623 178.309 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.284 0 O-C-N 120.933 -1.104 . . . . 0.0 110.401 178.574 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.168 0 O-C-N 125.799 1.937 . . . . 0.0 110.289 -178.393 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.289 -2.051 0 O-C-N 127.081 2.738 . . . . 0.0 107.0 179.012 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.484 -1.595 0 CA-C-O 122.208 1.004 . . . . 0.0 112.895 177.928 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.919 0 O-C-N 117.468 -3.27 . . . . 0.0 114.6 179.729 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.82 0 O-C-N 125.639 1.837 . . . . 0.0 108.144 179.484 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.58 1 O-C-N 129.31 4.131 . . . . 0.0 109.764 179.173 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 120.097 -1.627 . . . . 0.0 111.846 179.105 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 125.07 1.348 . . . . 0.0 112.802 178.701 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.29 -2.008 0 C-N-CA 127.995 2.712 . . . . 0.0 114.349 179.946 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.284 0 C-N-CA 128.259 2.624 . . . . 0.0 111.522 179.136 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 C-N-CA 117.592 -1.643 . . . . 0.0 107.437 177.414 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.088 0 CA-C-O 117.332 -1.318 . . . . 0.0 108.951 -179.11 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 N--CA 1.49 1.289 0 C-N-CA 122.867 2.378 . . . . 0.0 111.727 177.605 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 332' ' ' ASN . . . . . . . . . . . . . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.249 1.028 0 O-C-N 118.692 -2.505 . . . . 0.0 115.727 -179.322 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.064 0 C-N-CA 126.608 1.963 . . . . 0.0 110.934 178.974 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.506 -0.919 0 C-N-CA 123.43 2.754 . . . . 0.0 115.501 -179.627 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.704 0 CA-C-N 121.323 1.874 . . . . 0.0 113.42 178.018 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 124.935 1.294 . . . . 0.0 108.033 -179.991 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.845 0 C-N-CA 119.091 -1.044 . . . . 0.0 109.765 179.122 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.623 -0.673 . . . . 0.0 109.297 179.106 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 C--O 1.243 0.751 0 CA-C-N 114.259 -1.337 . . . . 0.0 109.757 179.819 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.307 -1.275 0 CA-C-N 119.581 1.082 . . . . 0.0 111.957 -177.956 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-O 117.101 -1.428 . . . . 0.0 111.845 -178.025 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 115.059 1.503 . . . . 0.0 115.059 -178.934 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.256 1.438 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.166 179.713 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-O 124.854 2.264 . . . . 0.0 109.456 178.316 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.497 -1.063 0 CA-C-N 112.737 -2.029 . . . . 0.0 111.309 178.767 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-N 121.171 1.805 . . . . 0.0 112.724 179.875 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.253 1.278 0 CA-C-O 118.436 -0.792 . . . . 0.0 112.283 -176.297 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 O-C-N 124.085 0.865 . . . . 0.0 109.113 -179.353 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-O 115.215 -2.326 . . . . 0.0 110.879 -178.09 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.229 0 O-C-N 127.564 3.04 . . . . 0.0 110.986 179.017 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.803 0 C-N-CA 127.404 2.281 . . . . 0.0 113.785 -177.177 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 125.971 2.044 . . . . 0.0 112.223 -179.954 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.385 0 CA-C-N 121.284 1.856 . . . . 0.0 114.798 179.852 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.568 0 C-N-CA 124.78 1.232 . . . . 0.0 111.439 179.575 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 178.896 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.226 0 N-CA-C 107.297 -1.372 . . . . 0.0 107.297 178.212 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 O-C-N 124.806 1.316 . . . . 0.0 110.036 -178.709 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-N 113.669 -1.605 . . . . 0.0 111.013 178.385 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.302 -1.472 0 C-N-CA 127.117 2.167 . . . . 0.0 112.56 -178.577 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 113.667 -1.606 . . . . 0.0 111.993 179.77 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.243 0.726 0 CA-C-O 116.759 -1.591 . . . . 0.0 111.643 -178.269 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 126.438 2.336 . . . . 0.0 107.573 178.855 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.062 0 C-N-CA 126.406 1.882 . . . . 0.0 113.14 179.253 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.611 -179.195 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.308 -1.213 0 O-C-N 124.447 1.092 . . . . 0.0 108.231 178.137 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 116.587 -1.673 . . . . 0.0 112.16 179.001 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.501 0 N-CA-C 115.911 1.819 . . . . 0.0 115.911 -179.732 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 O-C-N 124.498 1.124 . . . . 0.0 111.093 -177.946 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.135 0 O-C-N 125.435 1.709 . . . . 0.0 111.333 -178.659 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.1 0 C-N-CA 127.298 2.239 . . . . 0.0 107.446 179.085 . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' A' A ' 500' ' ' MXT . . . . . 0.902 ' O11' H232 ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 600' ' ' MXT . . . . . 0.743 H232 ' O11' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 24.3 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 16.8 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 6.5 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 16.2 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 43.3 t -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.1 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 20.3 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 18.7 m -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 25.8 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.8 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.7 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 31.9 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 6.6 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 25.6 t -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 22.6 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.432 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 1.7 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.3 m -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 43.4 t -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.417 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 0.5 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 25.8 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 24.6 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 8.9 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.5 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 13.9 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.7 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 21.0 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 10.2 t -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 23.4 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.0 m -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 31.6 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 15.2 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 041 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 041 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 m -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 041 nuclear build core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 041 nuclear build core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 042 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 042 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 042 nuclear build core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 042 nuclear build core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 043 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 043 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 043 nuclear build core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 043 nuclear build core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 044 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 044 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.456 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 0.5 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 044 nuclear build core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 044 nuclear build core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 045 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 045 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 045 nuclear build core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 045 nuclear build core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 046 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 046 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 43.1 t -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 046 nuclear build core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 046 nuclear build core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 047 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 047 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 31.5 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 047 nuclear build core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 047 nuclear build core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 048 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 048 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.9 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 048 nuclear build core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 048 nuclear build core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 049 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 049 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 29.2 m -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 049 nuclear build core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 049 nuclear build core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 050 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 050 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.449 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 16.9 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 050 nuclear build core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 050 nuclear build core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.521 ' HA ' H121 ' A' ' 500' ' ' MXT . 24.3 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.79 ' N ' ' O12' ' A' ' 500' ' ' MXT . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.313 0 O-C-N 125.664 1.852 . . . . 0.0 106.868 172.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.711 1 O-C-N 129.166 4.245 . . . . 0.0 107.936 -176.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.913 0 CA-C-N 121.032 1.742 . . . . 0.0 112.665 -178.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.197 0 CA-C-N 114.198 -1.365 . . . . 0.0 110.888 -177.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.218 0 C-N-CA 126.982 2.113 . . . . 0.0 110.226 -177.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.461 0 O-C-N 120.871 -1.143 . . . . 0.0 109.853 178.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.585 0 N-CA-C 105.953 -1.869 . . . . 0.0 105.953 -177.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 127.181 2.801 . . . . 0.0 107.833 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.572 1.807 0 CA-C-O 115.447 -2.216 . . . . 0.0 106.401 176.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.538 1 O-C-N 130.685 4.99 . . . . 0.0 106.28 178.053 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.134 0 CA-C-O 113.772 -3.013 . . . . 0.0 105.856 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.467 0 CA-C-N 121.155 1.798 . . . . 0.0 110.002 -177.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 125.947 2.029 . . . . 0.0 105.774 -176.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.356 0 O-C-N 127.485 2.99 . . . . 0.0 112.74 -176.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.267 1.98 0 O-C-N 127.229 2.831 . . . . 0.0 112.24 177.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 122.167 2.258 . . . . 0.0 111.918 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--O 1.225 -0.228 0 O-C-N 126.692 2.495 . . . . 0.0 109.72 -174.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.325 -0.699 0 C-N-CA 124.679 3.586 . . . . 0.0 111.915 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.83 0 CA-C-N 111.763 -2.471 . . . . 0.0 106.746 179.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.251 0 O-C-N 127.506 3.371 . . . . 0.0 107.946 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.513 0 CA-C-O 116.164 -1.682 . . . . 0.0 108.313 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.428 -1.563 0 O-C-N 127.108 2.755 . . . . 0.0 112.138 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -2.005 0 C-N-CA 126.784 2.034 . . . . 0.0 114.918 -174.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.69 0 N-CA-C 107.699 -1.222 . . . . 0.0 107.699 175.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 124.898 1.374 . . . . 0.0 113.661 -175.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.257 1.453 0 CA-C-O 117.379 -1.296 . . . . 0.0 112.759 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.301 0 CA-C-N 121.783 2.083 . . . . 0.0 114.971 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.46 0 C-N-CA 122.161 1.907 . . . . 0.0 113.309 178.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.293 -1.89 0 C-N-CA 129.793 3.237 . . . . 0.0 112.27 178.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.037 0 O-C-N 119.411 -2.055 . . . . 0.0 109.53 177.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.559 1.318 0 CA-C-O 115.57 -2.157 . . . . 0.0 109.264 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 127.414 2.946 . . . . 0.0 109.404 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.253 1.242 0 O-C-N 120.296 -1.502 . . . . 0.0 112.89 177.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-O 122.018 0.913 . . . . 0.0 113.366 179.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.261 0 C-N-CA 126.465 1.906 . . . . 0.0 109.264 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.766 0 O-C-N 125.151 1.532 . . . . 0.0 110.237 175.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.166 0 C-N-CA 127.056 2.142 . . . . 0.0 114.582 178.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.001 0 CA-C-O 117.072 -1.96 . . . . 0.0 112.304 178.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-N 118.177 0.988 . . . . 0.0 108.474 179.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 176.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.246 0.92 0 C-N-CA 123.904 0.882 . . . . 0.0 112.844 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.256 1.436 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 -175.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.074 0 C-N-CA 125.033 1.333 . . . . 0.0 108.095 175.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 177.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.953 0 CA-C-N 114.287 -1.324 . . . . 0.0 110.045 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-O 116.001 -1.952 . . . . 0.0 112.34 178.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.278 -2.533 0 N-CA-C 116.56 2.059 . . . . 0.0 116.56 -174.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.579 0 CA-C-O 122.742 1.258 . . . . 0.0 112.322 -178.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 122.403 2.069 . . . . 0.0 115.079 -179.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 177.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.425 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 178.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.497 -1.086 0 O-C-N 118.351 -2.718 . . . . 0.0 114.67 -179.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.315 0 N-CA-C 115.978 1.844 . . . . 0.0 115.978 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.502 -1.079 0 CA-C-N 120.298 1.142 . . . . 0.0 114.849 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.315 1.046 . . . . 0.0 112.015 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 O-C-N 125.154 1.534 . . . . 0.0 111.516 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.318 0 N-CA-C 116.901 2.186 . . . . 0.0 116.901 179.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 127.657 2.383 . . . . 0.0 115.533 -177.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.849 0 N-CA-C 117.148 2.277 . . . . 0.0 117.148 -178.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.042 0 CA-C-O 115.693 -2.726 . . . . 0.0 118.869 177.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.967 0 CA-C-N 124.171 3.985 . . . . 0.0 111.354 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-O 115.652 -2.118 . . . . 0.0 106.289 177.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.302 -1.481 0 O-C-N 125.484 1.74 . . . . 0.0 107.625 -178.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.47 0 O-C-N 125.789 1.931 . . . . 0.0 111.429 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-O 122.123 0.964 . . . . 0.0 110.687 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.248 1.012 0 N-CA-C 106.757 -1.572 . . . . 0.0 106.757 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.266 1.955 0 O-C-N 126.031 2.082 . . . . 0.0 116.221 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.769 0 CA-C-O 117.951 -1.023 . . . . 0.0 112.602 -178.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 1.991 0 N-CA-C 107.836 -2.106 . . . . 0.0 107.836 -178.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 125.332 2.492 . . . . 0.0 112.683 -177.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.851 0 CA-C-N 110.951 -2.84 . . . . 0.0 110.426 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.314 -0.969 0 O-C-N 126.38 2.3 . . . . 0.0 105.375 176.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.391 0 N-CA-C 117.778 2.51 . . . . 0.0 117.778 -176.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 178.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 103.854 -2.647 . . . . 0.0 103.854 177.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 CA-C-N 112.016 -2.356 . . . . 0.0 108.037 -179.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.288 0 N-CA-C 118.503 2.161 . . . . 0.0 118.503 -178.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.688 0 CA-C-N 118.212 1.006 . . . . 0.0 112.245 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.697 0 O-C-N 123.684 0.615 . . . . 0.0 112.589 -177.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 124.175 1.94 . . . . 0.0 110.105 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.893 0 CA-C-N 113.441 -1.709 . . . . 0.0 108.389 -178.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 C--N 1.318 -0.449 0 CA-C-N 114.045 -1.434 . . . . 0.0 110.248 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.328 -0.332 0 O-C-N 124.857 0.975 . . . . 0.0 109.986 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 1.023 0 CA-C-N 114.377 -1.283 . . . . 0.0 109.376 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.203 0 O-C-N 124.523 1.139 . . . . 0.0 110.253 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.815 0 N-CA-C 119.028 2.371 . . . . 0.0 119.028 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.824 0 O-C-N 120.935 -1.332 . . . . 0.0 109.088 179.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 107.044 -1.465 . . . . 0.0 107.044 178.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.877 0 O-C-N 125.68 1.862 . . . . 0.0 110.29 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.343 0.592 . . . . 0.0 111.912 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 115.718 -2.087 . . . . 0.0 108.799 -177.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.906 0 O-C-N 127.269 2.856 . . . . 0.0 110.39 178.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-O 117.675 -1.155 . . . . 0.0 109.572 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 O-C-N 128.149 3.405 . . . . 0.0 112.821 -177.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.252 1.219 0 O-C-N 125.067 1.479 . . . . 0.0 111.745 -178.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 123.878 0.871 . . . . 0.0 110.202 178.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.951 0 N-CA-C 118.01 2.596 . . . . 0.0 118.01 175.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.311 -1.069 0 C-N-CA 124.129 0.971 . . . . 0.0 109.086 177.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 127.411 2.944 . . . . 0.0 111.344 -177.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.305 -1.359 0 C-N-CA 129.981 3.313 . . . . 0.0 108.961 178.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.246 0.904 0 O-C-N 126.75 2.531 . . . . 0.0 113.744 -178.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 115.27 1.581 . . . . 0.0 115.27 -178.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 124.719 1.262 . . . . 0.0 109.883 178.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 124.007 0.923 . . . . 0.0 109.153 179.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.875 0 C-N-CA 123.455 0.702 . . . . 0.0 112.734 -178.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-O 117.019 -1.467 . . . . 0.0 111.023 -177.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 CA-C-O 116.71 -1.614 . . . . 0.0 110.667 -176.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.252 1.194 0 CA-C-N 119.599 1.09 . . . . 0.0 112.836 -178.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 124.968 1.307 . . . . 0.0 111.654 -178.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 125.054 1.471 . . . . 0.0 108.328 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 126.572 2.42 . . . . 0.0 111.625 -178.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.025 0 C-N-CA 120.17 -0.612 . . . . 0.0 110.536 177.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 114.287 1.217 . . . . 0.0 114.287 -177.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 125.659 1.584 . . . . 0.0 111.267 177.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 C--O 1.242 0.648 0 O-C-N 121.269 -0.894 . . . . 0.0 114.249 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.606 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 119.826 -1.796 . . . . 0.0 109.656 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.901 0 N-CA-C 116.336 1.976 . . . . 0.0 116.336 -176.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 125.27 1.606 . . . . 0.0 110.287 -176.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 112.553 -2.112 . . . . 0.0 108.32 176.022 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 N-CA-C 104.507 -2.405 . . . . 0.0 104.507 178.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.785 0 O-C-N 125.382 1.677 . . . . 0.0 108.28 -177.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.302 -1.306 0 O-C-N 125.912 2.008 . . . . 0.0 110.998 -175.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.455 0 O-C-N 126.324 2.75 . . . . 0.0 115.043 -176.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.257 1.481 0 O-C-N 120.388 -1.445 . . . . 0.0 113.814 177.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.345 0 N-CA-C 115.597 1.702 . . . . 0.0 115.597 -176.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.263 1.8 0 CA-C-O 115.073 -2.394 . . . . 0.0 112.818 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.261 1.664 0 CA-C-N 120.915 1.689 . . . . 0.0 114.824 -178.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.063 0 C-N-CA 127.061 2.145 . . . . 0.0 111.156 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 O-C-N 126.202 2.189 . . . . 0.0 110.468 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 177.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.711 0 C-N-CA 126.572 1.949 . . . . 0.0 112.633 179.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.252 1.201 0 CA-C-N 113.173 -1.831 . . . . 0.0 111.413 -177.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.309 -1.173 0 C-N-CA 123.881 0.873 . . . . 0.0 113.146 -179.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 104.166 -2.531 . . . . 0.0 104.166 177.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 104.823 -2.288 . . . . 0.0 104.823 178.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 128.514 3.634 . . . . 0.0 116.967 -175.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.582 4.271 0 N-CA-C 105.337 -3.105 . . . . 0.0 105.337 177.057 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.343 0 O-C-N 128.489 3.111 . . . . 0.0 106.583 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.824 0 C-N-CA 118.903 -1.119 . . . . 0.0 112.696 -177.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.747 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 177.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.82 0 CA-C-O 122.467 1.127 . . . . 0.0 108.083 176.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 121.468 1.446 . . . . 0.0 111.868 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 177.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 105.329 -2.1 . . . . 0.0 105.329 177.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 122.765 1.269 . . . . 0.0 110.092 -176.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.173 0 CA-C-N 112.654 -2.066 . . . . 0.0 112.764 -179.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.202 0 CA-C-N 118.186 0.993 . . . . 0.0 110.752 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.929 0 O-C-N 123.45 1.237 . . . . 0.0 111.58 177.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 103.183 -2.895 . . . . 0.0 103.183 178.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.348 0 O-C-N 126.89 2.619 . . . . 0.0 112.24 -178.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.684 0 N-CA-C 107.586 -1.736 . . . . 0.0 107.586 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.97 0 O-C-N 128.076 3.36 . . . . 0.0 102.996 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.985 0 CA-C-O 116.033 -1.937 . . . . 0.0 108.782 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.839 0 N-CA-C 104.118 -3.593 . . . . 0.0 104.118 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.527 0 CA-C-O 115.687 -2.101 . . . . 0.0 109.489 -178.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.73 0 N-CA-C 103.739 -2.689 . . . . 0.0 103.739 -178.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.498 -1.054 0 O-C-N 127.722 3.139 . . . . 0.0 113.532 -176.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 106.321 -1.733 . . . . 0.0 106.321 -178.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.951 0 O-C-N 126.308 2.255 . . . . 0.0 107.661 -178.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.882 -1.952 . . . . 0.0 110.271 -177.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--N 1.306 -1.3 0 N-CA-C 100.645 -3.835 . . . . 0.0 100.645 176.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.445 -1.332 0 CA-C-O 115.267 -2.055 . . . . 0.0 112.154 -178.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.272 -2.798 0 CA-C-N 120.693 1.588 . . . . 0.0 109.555 177.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.414 0 CA-C-N 112.828 -1.987 . . . . 0.0 110.594 178.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.434 -1.263 0 O-C-N 120.97 -1.081 . . . . 0.0 110.428 178.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.556 1.182 0 O-C-N 125.78 1.925 . . . . 0.0 110.278 -178.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.079 0 O-C-N 127.034 2.709 . . . . 0.0 107.007 178.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.622 0 CA-C-O 122.228 1.014 . . . . 0.0 112.925 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.442 -0.857 0 O-C-N 117.451 -3.281 . . . . 0.0 114.591 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.799 0 O-C-N 125.591 1.807 . . . . 0.0 108.141 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.582 1 O-C-N 129.207 4.067 . . . . 0.0 109.783 179.172 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 120.01 -1.681 . . . . 0.0 111.849 179.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.53 0 C-N-CA 125.127 1.371 . . . . 0.0 112.807 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.29 -2.019 0 C-N-CA 127.984 2.707 . . . . 0.0 114.327 -178.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.282 0 C-N-CA 128.222 2.609 . . . . 0.0 111.502 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 C-N-CA 117.599 -1.64 . . . . 0.0 107.381 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.287 -2.137 0 CA-C-O 117.295 -1.335 . . . . 0.0 108.967 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.314 -1.289 0 C-N-CA 122.904 2.403 . . . . 0.0 111.722 178.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.005 0 O-C-N 118.67 -2.519 . . . . 0.0 115.73 -177.687 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.034 0 C-N-CA 126.62 1.968 . . . . 0.0 110.912 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.945 0 C-N-CA 123.424 2.749 . . . . 0.0 115.524 176.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-N 121.267 1.849 . . . . 0.0 113.426 177.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 124.958 1.303 . . . . 0.0 108.047 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.246 0.871 0 C-N-CA 119.084 -1.047 . . . . 0.0 109.725 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.622 -0.674 . . . . 0.0 109.3 179.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-N 114.226 -1.352 . . . . 0.0 109.755 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-N 119.585 1.084 . . . . 0.0 111.973 -178.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 117.108 -1.425 . . . . 0.0 111.886 -178.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 115.046 1.499 . . . . 0.0 115.046 -178.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.453 0 CA-C-N 114.581 -1.191 . . . . 0.0 109.187 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-O 124.897 2.284 . . . . 0.0 109.42 178.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.032 0 CA-C-N 112.717 -2.038 . . . . 0.0 111.327 178.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.743 0 CA-C-N 121.127 1.785 . . . . 0.0 112.735 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.253 1.266 0 CA-C-O 118.447 -0.787 . . . . 0.0 112.3 -176.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 O-C-N 124.114 0.884 . . . . 0.0 109.176 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.307 -1.262 0 CA-C-O 115.252 -2.308 . . . . 0.0 110.937 -178.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.309 -1.194 0 O-C-N 127.595 3.059 . . . . 0.0 111.061 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.778 0 C-N-CA 127.35 2.26 . . . . 0.0 113.738 -177.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 125.986 2.054 . . . . 0.0 112.205 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.376 0 CA-C-N 121.316 1.871 . . . . 0.0 114.821 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.598 0 C-N-CA 124.806 1.243 . . . . 0.0 111.432 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 178.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 178.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 O-C-N 124.833 1.333 . . . . 0.0 110.052 -178.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.368 0 CA-C-N 113.649 -1.614 . . . . 0.0 111.045 178.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 127.153 2.181 . . . . 0.0 112.547 -178.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 113.688 -1.596 . . . . 0.0 111.991 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-O 116.777 -1.582 . . . . 0.0 111.69 -178.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 126.516 2.385 . . . . 0.0 107.564 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.07 0 C-N-CA 126.4 1.88 . . . . 0.0 113.158 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.626 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.192 0 O-C-N 124.381 1.051 . . . . 0.0 108.212 178.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-O 116.541 -1.695 . . . . 0.0 112.093 179.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.523 0 N-CA-C 115.907 1.817 . . . . 0.0 115.907 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 O-C-N 124.455 1.097 . . . . 0.0 111.082 -177.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.118 0 O-C-N 125.438 1.711 . . . . 0.0 111.365 -178.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.063 0 C-N-CA 127.243 2.217 . . . . 0.0 107.485 179.117 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 500' ' ' MXT . . . . . 0.879 ' O11' H231 ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 600' ' ' MXT . . . . . 0.748 ' O12' H231 ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 1.267 ' CA ' H122 ' A' ' 500' ' ' MXT . 16.8 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.78 ' N ' ' O12' ' A' ' 500' ' ' MXT . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.296 0 O-C-N 125.664 1.852 . . . . 0.0 106.913 172.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.729 1 O-C-N 129.199 4.263 . . . . 0.0 107.982 -177.382 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.896 0 CA-C-N 121.002 1.728 . . . . 0.0 112.631 -178.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.194 0 CA-C-N 114.24 -1.345 . . . . 0.0 110.888 -178.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.171 0 C-N-CA 126.986 2.114 . . . . 0.0 110.169 -177.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.448 0 O-C-N 120.906 -1.121 . . . . 0.0 109.852 -178.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.565 0 N-CA-C 105.911 -1.885 . . . . 0.0 105.911 -177.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 127.135 2.772 . . . . 0.0 107.852 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.572 1.793 0 CA-C-O 115.397 -2.239 . . . . 0.0 106.438 177.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.562 1 O-C-N 130.719 5.012 . . . . 0.0 106.275 177.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.114 0 CA-C-O 113.765 -3.016 . . . . 0.0 105.862 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-N 121.076 1.762 . . . . 0.0 110.034 -177.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.794 0 O-C-N 125.879 1.987 . . . . 0.0 105.789 -176.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.345 0 O-C-N 127.508 3.005 . . . . 0.0 112.771 -176.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.968 0 O-C-N 127.219 2.824 . . . . 0.0 112.258 177.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 122.135 2.243 . . . . 0.0 111.917 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--O 1.225 -0.2 0 O-C-N 126.664 2.478 . . . . 0.0 109.723 -174.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.736 0 C-N-CA 124.669 3.579 . . . . 0.0 111.965 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.477 0.881 0 CA-C-N 111.673 -2.512 . . . . 0.0 106.726 179.14 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.254 0 O-C-N 127.539 3.389 . . . . 0.0 107.9 178.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.329 -0.491 0 CA-C-O 116.144 -1.69 . . . . 0.0 108.37 178.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.6 0 O-C-N 127.063 2.727 . . . . 0.0 112.176 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.291 -1.939 0 C-N-CA 126.773 2.029 . . . . 0.0 114.885 -174.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.703 0 N-CA-C 107.71 -1.218 . . . . 0.0 107.71 175.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.304 0 O-C-N 124.9 1.375 . . . . 0.0 113.667 -175.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.257 1.448 0 CA-C-O 117.388 -1.292 . . . . 0.0 112.771 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.299 0 CA-C-N 121.779 2.082 . . . . 0.0 114.947 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.311 -1.443 0 C-N-CA 122.149 1.899 . . . . 0.0 113.333 178.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.901 0 C-N-CA 129.767 3.227 . . . . 0.0 112.327 178.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.064 0 O-C-N 119.436 -2.04 . . . . 0.0 109.548 177.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.33 0 CA-C-O 115.576 -2.155 . . . . 0.0 109.269 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 127.41 2.944 . . . . 0.0 109.353 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.234 0 O-C-N 120.324 -1.485 . . . . 0.0 112.888 177.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-O 122.04 0.924 . . . . 0.0 113.321 179.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.247 0 C-N-CA 126.454 1.902 . . . . 0.0 109.258 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 125.127 1.517 . . . . 0.0 110.216 175.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.159 0 C-N-CA 127.128 2.171 . . . . 0.0 114.566 178.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 1.977 0 CA-C-O 117.103 -1.943 . . . . 0.0 112.349 178.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 118.175 0.988 . . . . 0.0 108.481 179.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 176.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.925 0 C-N-CA 123.962 0.905 . . . . 0.0 112.836 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.467 0 N-CA-C 115.03 1.492 . . . . 0.0 115.03 -175.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.095 0 C-N-CA 125.035 1.334 . . . . 0.0 108.121 175.106 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 177.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.948 0 CA-C-N 114.291 -1.322 . . . . 0.0 110.113 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 116.008 -1.949 . . . . 0.0 112.302 178.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.557 0 N-CA-C 116.628 2.085 . . . . 0.0 116.628 -174.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.583 0 CA-C-O 122.733 1.254 . . . . 0.0 112.272 -178.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 122.405 2.07 . . . . 0.0 115.148 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 177.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.433 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 178.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.497 -1.085 0 O-C-N 118.342 -2.724 . . . . 0.0 114.616 -179.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.324 0 N-CA-C 115.986 1.847 . . . . 0.0 115.986 179.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.034 0 CA-C-N 120.272 1.133 . . . . 0.0 114.882 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.246 1.018 . . . . 0.0 112.073 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 O-C-N 125.029 1.456 . . . . 0.0 111.497 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.255 1.343 0 N-CA-C 116.909 2.188 . . . . 0.0 116.909 179.108 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 127.639 2.375 . . . . 0.0 115.542 -178.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.246 0.881 0 N-CA-C 117.135 2.272 . . . . 0.0 117.135 -178.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.034 0 CA-C-O 115.729 -2.706 . . . . 0.0 118.887 177.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.927 0 CA-C-N 124.141 3.971 . . . . 0.0 111.376 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-O 115.62 -2.133 . . . . 0.0 106.264 177.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.302 -1.489 0 O-C-N 125.528 1.767 . . . . 0.0 107.627 -178.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.493 0 O-C-N 125.839 1.962 . . . . 0.0 111.489 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-O 122.069 0.937 . . . . 0.0 110.709 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.033 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.266 1.963 0 O-C-N 126.099 2.124 . . . . 0.0 116.186 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.787 0 CA-C-O 117.926 -1.035 . . . . 0.0 112.57 -178.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 1.995 0 N-CA-C 107.798 -2.121 . . . . 0.0 107.798 -178.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 125.362 2.505 . . . . 0.0 112.664 -177.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.846 0 CA-C-N 110.871 -2.877 . . . . 0.0 110.395 179.231 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -0.989 0 O-C-N 126.397 2.31 . . . . 0.0 105.429 176.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.384 0 N-CA-C 117.743 2.497 . . . . 0.0 117.743 -176.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 178.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 177.069 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 CA-C-N 111.99 -2.368 . . . . 0.0 108.038 -179.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.314 0 N-CA-C 118.548 2.179 . . . . 0.0 118.548 -178.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.677 0 O-C-N 121.443 -1.033 . . . . 0.0 112.246 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.651 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -177.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.828 0 CA-C-O 124.265 1.983 . . . . 0.0 110.036 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.245 0.855 0 CA-C-N 113.404 -1.726 . . . . 0.0 108.375 -178.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 C--N 1.318 -0.463 0 CA-C-N 114.033 -1.44 . . . . 0.0 110.168 179.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 124.775 0.926 . . . . 0.0 110.019 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 1.024 0 CA-C-N 114.403 -1.271 . . . . 0.0 109.375 179.235 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.484 1.274 0 O-C-N 124.519 1.137 . . . . 0.0 110.156 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 CA--C 1.501 -0.841 0 N-CA-C 119.047 2.379 . . . . 0.0 119.047 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.853 0 O-C-N 120.826 -1.397 . . . . 0.0 109.07 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 178.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.266 1.937 0 O-C-N 125.696 1.873 . . . . 0.0 110.21 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.282 0.563 . . . . 0.0 111.87 -179.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 115.73 -2.081 . . . . 0.0 108.807 -177.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.293 -1.891 0 O-C-N 127.218 2.824 . . . . 0.0 110.332 178.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 117.668 -1.158 . . . . 0.0 109.582 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 O-C-N 128.117 3.385 . . . . 0.0 112.807 -177.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.281 0 O-C-N 125.108 1.505 . . . . 0.0 111.741 -178.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 123.889 0.875 . . . . 0.0 110.189 178.269 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.949 0 N-CA-C 118.052 2.612 . . . . 0.0 118.052 175.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.311 -1.07 0 C-N-CA 124.088 0.955 . . . . 0.0 109.051 177.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 127.409 2.943 . . . . 0.0 111.338 -177.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.388 0 C-N-CA 129.94 3.296 . . . . 0.0 108.987 178.321 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.923 0 O-C-N 126.762 2.539 . . . . 0.0 113.795 -178.138 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -178.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 124.743 1.277 . . . . 0.0 109.965 178.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.303 -1.433 0 C-N-CA 124.051 0.941 . . . . 0.0 109.17 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.858 0 C-N-CA 123.462 0.705 . . . . 0.0 112.69 -178.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-O 117.036 -1.459 . . . . 0.0 111.049 -177.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 CA-C-O 116.735 -1.603 . . . . 0.0 110.688 -176.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.163 0 CA-C-N 119.527 1.058 . . . . 0.0 112.884 -178.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 124.934 1.294 . . . . 0.0 111.71 -178.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 125.031 1.457 . . . . 0.0 108.34 -179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 126.553 2.408 . . . . 0.0 111.639 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.016 0 C-N-CA 120.162 -0.615 . . . . 0.0 110.478 177.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 -177.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 125.662 1.585 . . . . 0.0 111.236 177.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.466 0.663 0 O-C-N 121.344 -0.848 . . . . 0.0 114.215 -179.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 179.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 119.834 -1.791 . . . . 0.0 109.604 -179.337 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 116.365 1.987 . . . . 0.0 116.365 -176.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 125.215 1.572 . . . . 0.0 110.299 -176.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 112.519 -2.128 . . . . 0.0 108.284 175.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 N-CA-C 104.464 -2.421 . . . . 0.0 104.464 178.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 125.415 1.697 . . . . 0.0 108.27 -177.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.293 0 O-C-N 125.902 2.001 . . . . 0.0 110.987 -175.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.474 -2.522 0 O-C-N 126.265 2.718 . . . . 0.0 115.07 -176.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.259 1.562 0 O-C-N 120.351 -1.468 . . . . 0.0 113.805 177.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.384 0 N-CA-C 115.602 1.705 . . . . 0.0 115.602 -176.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--N 1.294 -1.811 0 CA-C-O 115.116 -2.373 . . . . 0.0 112.787 -178.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.633 0 CA-C-N 120.899 1.682 . . . . 0.0 114.862 -178.032 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.311 -1.085 0 C-N-CA 127.071 2.149 . . . . 0.0 111.233 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 O-C-N 126.183 2.177 . . . . 0.0 110.476 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 125.342 1.457 . . . . 0.0 107.11 177.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.722 0 C-N-CA 126.554 1.942 . . . . 0.0 112.632 178.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.252 1.196 0 CA-C-N 113.225 -1.807 . . . . 0.0 111.409 -177.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.143 0 C-N-CA 123.858 0.863 . . . . 0.0 113.134 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 104.182 -2.525 . . . . 0.0 104.182 177.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 104.82 -2.289 . . . . 0.0 104.82 178.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 128.46 3.6 . . . . 0.0 116.929 -175.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.584 4.375 0 N-CA-C 105.305 -3.118 . . . . 0.0 105.305 177.088 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.347 0 O-C-N 128.557 3.151 . . . . 0.0 106.515 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.244 0.783 0 C-N-CA 118.945 -1.102 . . . . 0.0 112.666 -177.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.726 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 177.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.84 0 CA-C-O 122.425 1.107 . . . . 0.0 108.095 176.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.288 0 C-N-CA 121.501 1.467 . . . . 0.0 111.853 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 176.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 105.379 -2.082 . . . . 0.0 105.379 177.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 122.77 1.271 . . . . 0.0 110.094 -176.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.184 0 CA-C-N 112.729 -2.032 . . . . 0.0 112.797 -179.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.203 0 CA-C-N 118.177 0.988 . . . . 0.0 110.724 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.923 0 O-C-N 123.476 1.251 . . . . 0.0 111.645 177.011 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 103.176 -2.898 . . . . 0.0 103.176 178.33 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.34 0 O-C-N 126.871 2.607 . . . . 0.0 112.233 -178.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.694 0 N-CA-C 107.58 -1.739 . . . . 0.0 107.58 179.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.29 -1.98 0 O-C-N 128.11 3.381 . . . . 0.0 102.987 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.266 1.966 0 CA-C-O 115.985 -1.96 . . . . 0.0 108.796 -178.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.544 1.854 0 N-CA-C 104.088 -3.605 . . . . 0.0 104.088 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.515 0 CA-C-O 115.694 -2.098 . . . . 0.0 109.509 -179.233 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.724 0 N-CA-C 103.683 -2.71 . . . . 0.0 103.683 -178.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.063 0 O-C-N 127.701 3.126 . . . . 0.0 113.525 -176.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 106.327 -1.731 . . . . 0.0 106.327 -178.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.95 0 O-C-N 126.304 2.252 . . . . 0.0 107.603 -178.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 120.117 -1.813 . . . . 0.0 110.271 -177.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.335 0 N-CA-C 100.617 -3.846 . . . . 0.0 100.617 -177.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.292 0 CA-C-O 115.233 -2.07 . . . . 0.0 112.125 178.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.815 0 CA-C-N 120.68 1.582 . . . . 0.0 109.565 177.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.442 0 CA-C-N 112.843 -1.981 . . . . 0.0 110.587 178.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.304 0 O-C-N 120.925 -1.11 . . . . 0.0 110.399 178.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.141 0 O-C-N 125.766 1.916 . . . . 0.0 110.262 -178.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.087 0 O-C-N 127.034 2.709 . . . . 0.0 107.046 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.611 0 CA-C-O 122.234 1.016 . . . . 0.0 112.91 177.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.916 0 O-C-N 117.41 -3.306 . . . . 0.0 114.552 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.813 0 O-C-N 125.612 1.82 . . . . 0.0 108.105 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.299 -1.607 1 O-C-N 129.231 4.082 . . . . 0.0 109.767 179.202 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 120.011 -1.68 . . . . 0.0 111.887 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.528 0 C-N-CA 125.097 1.359 . . . . 0.0 112.778 178.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.29 -1.989 0 C-N-CA 127.976 2.703 . . . . 0.0 114.303 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.281 0 C-N-CA 128.284 2.634 . . . . 0.0 111.496 -178.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 C-N-CA 117.6 -1.64 . . . . 0.0 107.404 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.088 0 CA-C-O 117.251 -1.357 . . . . 0.0 109.05 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.296 0 C-N-CA 122.845 2.363 . . . . 0.0 111.767 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.01 0 O-C-N 118.632 -2.543 . . . . 0.0 115.721 -178.566 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.313 -1.014 0 C-N-CA 126.631 1.972 . . . . 0.0 110.918 -179.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.506 -0.907 0 C-N-CA 123.42 2.747 . . . . 0.0 115.433 176.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 121.32 1.873 . . . . 0.0 113.452 178.037 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 124.933 1.293 . . . . 0.0 107.995 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.246 0.883 0 C-N-CA 119.043 -1.063 . . . . 0.0 109.734 179.106 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.549 -0.719 . . . . 0.0 109.33 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 C--O 1.243 0.726 0 CA-C-N 114.268 -1.333 . . . . 0.0 109.733 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-N 119.581 1.082 . . . . 0.0 111.937 -177.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-O 117.088 -1.434 . . . . 0.0 111.859 -178.026 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 115.048 1.499 . . . . 0.0 115.048 -178.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.47 0 CA-C-N 114.588 -1.187 . . . . 0.0 109.159 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-O 124.895 2.283 . . . . 0.0 109.441 178.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.038 0 CA-C-N 112.719 -2.037 . . . . 0.0 111.267 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-N 121.121 1.782 . . . . 0.0 112.773 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.309 0 CA-C-O 118.434 -0.793 . . . . 0.0 112.214 -176.29 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 O-C-N 124.079 0.862 . . . . 0.0 109.149 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-O 115.219 -2.324 . . . . 0.0 110.892 -178.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.232 0 O-C-N 127.563 3.039 . . . . 0.0 111.024 179.002 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.79 0 C-N-CA 127.412 2.285 . . . . 0.0 113.753 -177.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 125.967 2.042 . . . . 0.0 112.227 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.384 0 CA-C-N 121.282 1.856 . . . . 0.0 114.823 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.557 0 C-N-CA 124.809 1.244 . . . . 0.0 111.452 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 178.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 O-C-N 124.832 1.332 . . . . 0.0 110.031 -178.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-N 113.677 -1.601 . . . . 0.0 111.056 178.337 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.302 -1.494 0 C-N-CA 127.125 2.17 . . . . 0.0 112.538 -178.566 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 113.683 -1.598 . . . . 0.0 111.995 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-O 116.71 -1.614 . . . . 0.0 111.657 -178.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 126.533 2.395 . . . . 0.0 107.556 178.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.059 0 C-N-CA 126.434 1.894 . . . . 0.0 113.123 179.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.678 -179.217 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.182 0 O-C-N 124.43 1.081 . . . . 0.0 108.181 178.149 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-O 116.543 -1.694 . . . . 0.0 112.124 179.044 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.257 1.494 0 N-CA-C 115.959 1.837 . . . . 0.0 115.959 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 O-C-N 124.458 1.099 . . . . 0.0 111.115 -177.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.118 0 O-C-N 125.477 1.736 . . . . 0.0 111.401 -178.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.084 0 C-N-CA 127.298 2.239 . . . . 0.0 107.448 179.129 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 500' ' ' MXT . . . . . 1.267 H122 ' CA ' ' A' ' 41' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 600' ' ' MXT . . . . . 0.683 ' O12' H231 ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.467 ' HB2' H121 ' A' ' 500' ' ' MXT . 6.5 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.296 0 O-C-N 125.664 1.852 . . . . 0.0 106.875 169.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.715 1 O-C-N 129.168 4.246 . . . . 0.0 107.974 -175.445 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.293 -1.891 0 CA-C-N 120.991 1.723 . . . . 0.0 112.626 -178.102 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.176 0 CA-C-N 114.243 -1.344 . . . . 0.0 110.942 -177.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.16 0 C-N-CA 126.939 2.096 . . . . 0.0 110.232 -177.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.455 0 O-C-N 120.908 -1.12 . . . . 0.0 109.866 178.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.595 0 N-CA-C 105.948 -1.871 . . . . 0.0 105.948 -177.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 127.103 2.752 . . . . 0.0 107.817 179.3 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.788 0 CA-C-O 115.426 -2.226 . . . . 0.0 106.415 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.561 1 O-C-N 130.684 4.99 . . . . 0.0 106.284 176.425 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.129 0 CA-C-O 113.696 -3.05 . . . . 0.0 105.89 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-N 121.16 1.8 . . . . 0.0 110.026 -177.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.785 0 O-C-N 125.922 2.014 . . . . 0.0 105.798 -176.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.254 1.323 0 O-C-N 127.538 3.024 . . . . 0.0 112.795 -176.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.958 0 O-C-N 127.245 2.841 . . . . 0.0 112.246 177.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 122.171 2.26 . . . . 0.0 111.938 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--O 1.225 -0.196 0 O-C-N 126.642 2.464 . . . . 0.0 109.709 -174.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.735 0 C-N-CA 124.663 3.575 . . . . 0.0 111.916 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.475 0.813 0 CA-C-N 111.772 -2.467 . . . . 0.0 106.761 179.176 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.279 0 O-C-N 127.537 3.388 . . . . 0.0 107.916 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.327 -0.557 0 O-C-N 124.327 1.699 . . . . 0.0 108.309 178.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.62 0 O-C-N 127.026 2.704 . . . . 0.0 112.151 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.991 0 C-N-CA 126.792 2.037 . . . . 0.0 114.926 -174.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.687 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 174.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.287 0 O-C-N 124.871 1.357 . . . . 0.0 113.592 -175.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.257 1.453 0 CA-C-O 117.407 -1.282 . . . . 0.0 112.791 -179.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.253 1.258 0 CA-C-N 121.759 2.072 . . . . 0.0 114.96 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.479 0 C-N-CA 122.119 1.879 . . . . 0.0 113.292 178.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.264 1.86 0 C-N-CA 129.78 3.232 . . . . 0.0 112.249 178.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.056 0 O-C-N 119.443 -2.036 . . . . 0.0 109.536 177.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.559 1.31 0 CA-C-O 115.606 -2.14 . . . . 0.0 109.218 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 127.334 2.897 . . . . 0.0 109.419 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.253 1.277 0 O-C-N 120.299 -1.5 . . . . 0.0 112.87 177.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-O 122.046 0.926 . . . . 0.0 113.308 179.054 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.251 0 C-N-CA 126.492 1.917 . . . . 0.0 109.23 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 125.099 1.499 . . . . 0.0 110.238 175.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.183 0 C-N-CA 127.043 2.137 . . . . 0.0 114.536 178.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.029 0 CA-C-O 117.057 -1.968 . . . . 0.0 112.322 178.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-N 118.132 0.966 . . . . 0.0 108.53 179.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 176.051 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.953 0 C-N-CA 123.953 0.901 . . . . 0.0 112.838 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.474 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 -175.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.31 -1.112 0 C-N-CA 125.033 1.333 . . . . 0.0 108.093 175.023 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 177.273 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.923 0 CA-C-N 114.3 -1.318 . . . . 0.0 110.086 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-O 115.986 -1.959 . . . . 0.0 112.283 178.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.574 0 N-CA-C 116.569 2.063 . . . . 0.0 116.569 -174.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.589 0 CA-C-O 122.734 1.254 . . . . 0.0 112.284 -178.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 122.364 2.043 . . . . 0.0 115.085 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 177.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.412 0 N-CA-C 115.167 1.543 . . . . 0.0 115.167 178.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.1 0 O-C-N 118.314 -2.741 . . . . 0.0 114.607 -179.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.332 0 N-CA-C 115.965 1.839 . . . . 0.0 115.965 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.06 0 CA-C-N 120.289 1.139 . . . . 0.0 114.853 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.279 1.031 . . . . 0.0 112.045 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 O-C-N 125.062 1.476 . . . . 0.0 111.473 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.32 0 N-CA-C 116.947 2.203 . . . . 0.0 116.947 179.08 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 127.638 2.375 . . . . 0.0 115.58 -178.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.246 0.871 0 N-CA-C 117.097 2.258 . . . . 0.0 117.097 -178.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.055 0 CA-C-O 115.714 -2.714 . . . . 0.0 118.897 177.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.967 0 CA-C-N 124.154 3.977 . . . . 0.0 111.377 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-O 115.667 -2.111 . . . . 0.0 106.273 177.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.51 0 O-C-N 125.442 1.714 . . . . 0.0 107.639 -178.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.5 0 O-C-N 125.805 1.94 . . . . 0.0 111.492 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-O 122.138 0.971 . . . . 0.0 110.688 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.248 1.009 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.266 1.97 0 O-C-N 126.028 2.08 . . . . 0.0 116.191 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.81 0 CA-C-O 117.93 -1.034 . . . . 0.0 112.579 -178.216 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.485 1.914 0 N-CA-C 107.782 -2.127 . . . . 0.0 107.782 -178.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 125.363 2.506 . . . . 0.0 112.65 -177.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.846 0 CA-C-N 110.874 -2.875 . . . . 0.0 110.413 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.314 -0.965 0 O-C-N 126.385 2.303 . . . . 0.0 105.444 176.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.41 0 N-CA-C 117.727 2.491 . . . . 0.0 117.727 -176.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 178.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 103.8 -2.667 . . . . 0.0 103.8 177.102 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 CA-C-N 112.046 -2.343 . . . . 0.0 108.063 -179.359 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.252 1.281 0 N-CA-C 118.549 2.18 . . . . 0.0 118.549 -178.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.243 0.721 0 O-C-N 121.488 -1.007 . . . . 0.0 112.27 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.622 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -177.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.497 1.885 0 CA-C-O 124.266 1.984 . . . . 0.0 110.04 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.891 0 CA-C-N 113.415 -1.72 . . . . 0.0 108.353 -178.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 C--N 1.318 -0.465 0 CA-C-N 114.056 -1.429 . . . . 0.0 110.166 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 124.843 0.966 . . . . 0.0 110.02 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 1.015 0 CA-C-N 114.379 -1.282 . . . . 0.0 109.361 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.484 1.245 0 O-C-N 124.592 1.182 . . . . 0.0 110.213 178.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 CA--C 1.501 -0.808 0 N-CA-C 119.071 2.388 . . . . 0.0 119.071 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.827 0 O-C-N 120.872 -1.369 . . . . 0.0 109.084 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 178.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.264 1.867 0 O-C-N 125.744 1.902 . . . . 0.0 110.285 179.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.333 0.587 . . . . 0.0 111.917 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 115.712 -2.089 . . . . 0.0 108.8 -177.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.903 0 O-C-N 127.273 2.858 . . . . 0.0 110.367 178.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-O 117.656 -1.164 . . . . 0.0 109.556 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 O-C-N 128.147 3.404 . . . . 0.0 112.792 -177.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.262 0 O-C-N 125.123 1.514 . . . . 0.0 111.756 -178.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 123.862 0.865 . . . . 0.0 110.202 178.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.292 -1.901 0 N-CA-C 118.064 2.616 . . . . 0.0 118.064 175.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.313 -1.017 0 C-N-CA 124.058 0.943 . . . . 0.0 109.115 177.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 127.454 2.971 . . . . 0.0 111.348 -177.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.388 0 C-N-CA 129.991 3.316 . . . . 0.0 109.0 178.275 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.928 0 O-C-N 126.785 2.553 . . . . 0.0 113.785 -178.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 115.287 1.588 . . . . 0.0 115.287 -178.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 124.729 1.268 . . . . 0.0 109.913 178.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 124.001 0.921 . . . . 0.0 109.199 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.89 0 C-N-CA 123.482 0.713 . . . . 0.0 112.73 -178.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-O 117.038 -1.458 . . . . 0.0 111.017 -177.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 CA-C-O 116.76 -1.59 . . . . 0.0 110.71 -176.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.159 0 CA-C-N 119.563 1.074 . . . . 0.0 112.796 -178.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.431 -1.394 0 C-N-CA 124.921 1.288 . . . . 0.0 111.661 -178.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 125.007 1.442 . . . . 0.0 108.32 -179.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.727 0 O-C-N 126.562 2.414 . . . . 0.0 111.617 -178.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.019 0 C-N-CA 120.197 -0.601 . . . . 0.0 110.538 177.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.735 0 N-CA-C 114.263 1.208 . . . . 0.0 114.263 -177.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 125.627 1.571 . . . . 0.0 111.226 177.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 CA--C 1.503 -0.66 0 O-C-N 121.27 -0.894 . . . . 0.0 114.255 -179.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.51 -0.588 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 119.83 -1.794 . . . . 0.0 109.655 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 116.41 2.004 . . . . 0.0 116.41 -177.009 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 125.3 1.625 . . . . 0.0 110.297 -176.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 112.497 -2.138 . . . . 0.0 108.31 176.017 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 N-CA-C 104.496 -2.409 . . . . 0.0 104.496 178.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 125.405 1.691 . . . . 0.0 108.288 -177.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.302 -1.321 0 O-C-N 125.886 1.991 . . . . 0.0 110.992 -175.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.433 0 O-C-N 126.311 2.743 . . . . 0.0 115.043 -176.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.512 0 O-C-N 120.417 -1.427 . . . . 0.0 113.822 177.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.382 0 N-CA-C 115.618 1.71 . . . . 0.0 115.618 -177.01 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.264 1.845 0 CA-C-O 115.089 -2.386 . . . . 0.0 112.775 -178.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.261 1.659 0 CA-C-N 120.934 1.697 . . . . 0.0 114.863 -178.029 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.049 0 C-N-CA 127.03 2.132 . . . . 0.0 111.188 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 O-C-N 126.246 2.217 . . . . 0.0 110.443 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 125.416 1.487 . . . . 0.0 107.062 177.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.753 0 C-N-CA 126.57 1.948 . . . . 0.0 112.578 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-N 113.259 -1.791 . . . . 0.0 111.458 -177.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.138 0 C-N-CA 123.845 0.858 . . . . 0.0 113.203 -179.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 N-CA-C 104.188 -2.523 . . . . 0.0 104.188 177.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 104.825 -2.287 . . . . 0.0 104.825 178.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 128.533 3.645 . . . . 0.0 116.975 -175.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.338 0 N-CA-C 105.271 -3.132 . . . . 0.0 105.271 177.098 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.342 0 O-C-N 128.512 3.125 . . . . 0.0 106.513 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.838 0 C-N-CA 118.883 -1.127 . . . . 0.0 112.669 -177.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.741 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 177.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.818 0 CA-C-O 122.42 1.105 . . . . 0.0 108.079 176.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.267 0 C-N-CA 121.497 1.464 . . . . 0.0 111.883 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 177.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 105.374 -2.084 . . . . 0.0 105.374 177.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 122.803 1.287 . . . . 0.0 110.109 -176.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.159 0 CA-C-N 112.682 -2.053 . . . . 0.0 112.787 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.222 0 CA-C-N 118.135 0.968 . . . . 0.0 110.701 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.96 0 O-C-N 123.488 1.257 . . . . 0.0 111.618 176.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 103.186 -2.894 . . . . 0.0 103.186 178.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.306 -1.323 0 O-C-N 126.913 2.633 . . . . 0.0 112.201 -178.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.686 0 N-CA-C 107.542 -1.753 . . . . 0.0 107.542 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.973 0 O-C-N 128.182 3.426 . . . . 0.0 103.002 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.266 1.969 0 CA-C-O 115.952 -1.975 . . . . 0.0 108.836 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 C--N 1.293 -1.808 0 N-CA-C 104.112 -3.595 . . . . 0.0 104.112 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.527 0 CA-C-O 115.675 -2.107 . . . . 0.0 109.499 -177.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.569 1.695 0 N-CA-C 103.709 -2.7 . . . . 0.0 103.709 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.498 -1.057 0 O-C-N 127.687 3.117 . . . . 0.0 113.549 -178.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 106.328 -1.73 . . . . 0.0 106.328 -178.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.94 0 O-C-N 126.226 2.204 . . . . 0.0 107.627 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.603 -2.116 . . . . 0.0 110.271 -176.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.334 0 N-CA-C 100.615 -3.846 . . . . 0.0 100.615 -173.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.445 -1.329 0 CA-C-O 115.185 -2.09 . . . . 0.0 112.081 178.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.805 0 CA-C-N 120.704 1.593 . . . . 0.0 109.58 177.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.428 0 CA-C-N 112.83 -1.987 . . . . 0.0 110.632 178.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.312 0 O-C-N 120.889 -1.132 . . . . 0.0 110.434 178.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.164 0 O-C-N 125.817 1.948 . . . . 0.0 110.28 -178.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.289 -2.064 0 O-C-N 127.049 2.718 . . . . 0.0 107.042 178.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.625 0 CA-C-O 122.216 1.007 . . . . 0.0 112.907 177.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.92 0 O-C-N 117.463 -3.273 . . . . 0.0 114.61 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.571 1.769 0 O-C-N 125.621 1.826 . . . . 0.0 108.172 179.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.579 1 O-C-N 129.18 4.05 . . . . 0.0 109.724 179.197 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 120.028 -1.67 . . . . 0.0 111.841 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.302 -1.488 0 C-N-CA 125.091 1.356 . . . . 0.0 112.79 178.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.047 0 C-N-CA 127.976 2.703 . . . . 0.0 114.328 -178.425 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.273 2.3 0 C-N-CA 128.289 2.636 . . . . 0.0 111.501 -178.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 C-N-CA 117.598 -1.641 . . . . 0.0 107.348 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.068 0 CA-C-O 117.246 -1.359 . . . . 0.0 109.06 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.326 0 C-N-CA 122.833 2.355 . . . . 0.0 111.765 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.024 0 O-C-N 118.68 -2.513 . . . . 0.0 115.727 -177.338 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.045 0 C-N-CA 126.618 1.967 . . . . 0.0 110.975 -178.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.506 -0.912 0 C-N-CA 123.382 2.721 . . . . 0.0 115.518 177.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-N 121.288 1.858 . . . . 0.0 113.442 178.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 124.947 1.299 . . . . 0.0 108.018 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.244 0.809 0 C-N-CA 119.03 -1.068 . . . . 0.0 109.766 179.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.599 -0.688 . . . . 0.0 109.303 179.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 C--O 1.244 0.769 0 CA-C-N 114.227 -1.351 . . . . 0.0 109.731 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-N 119.599 1.091 . . . . 0.0 111.974 -177.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-O 117.024 -1.465 . . . . 0.0 111.85 -178.022 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 -178.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.458 0 CA-C-N 114.536 -1.211 . . . . 0.0 109.203 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-O 124.852 2.263 . . . . 0.0 109.413 178.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.499 -0.998 0 CA-C-N 112.793 -2.003 . . . . 0.0 111.311 178.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-N 121.119 1.781 . . . . 0.0 112.743 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.29 0 CA-C-O 118.417 -0.801 . . . . 0.0 112.284 -176.292 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 O-C-N 124.097 0.873 . . . . 0.0 109.117 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-O 115.213 -2.327 . . . . 0.0 110.948 -178.169 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.22 0 O-C-N 127.58 3.05 . . . . 0.0 110.99 178.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.796 0 C-N-CA 127.399 2.28 . . . . 0.0 113.784 -177.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 126.004 2.065 . . . . 0.0 112.137 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.363 0 CA-C-N 121.357 1.889 . . . . 0.0 114.835 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.603 0 C-N-CA 124.777 1.231 . . . . 0.0 111.437 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 178.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 178.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 O-C-N 124.845 1.341 . . . . 0.0 110.014 -178.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.352 0 CA-C-N 113.63 -1.623 . . . . 0.0 111.038 178.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 127.123 2.169 . . . . 0.0 112.519 -178.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 113.694 -1.594 . . . . 0.0 111.975 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.674 0 CA-C-O 116.782 -1.58 . . . . 0.0 111.706 -178.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 126.524 2.39 . . . . 0.0 107.504 178.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 C--N 1.312 -1.027 0 C-N-CA 126.394 1.878 . . . . 0.0 113.103 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.617 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.308 -1.197 0 O-C-N 124.448 1.092 . . . . 0.0 108.236 178.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 116.551 -1.69 . . . . 0.0 112.074 179.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.52 0 N-CA-C 115.896 1.813 . . . . 0.0 115.896 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 O-C-N 124.47 1.106 . . . . 0.0 111.105 -177.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.119 0 O-C-N 125.412 1.695 . . . . 0.0 111.334 -178.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.077 0 C-N-CA 127.237 2.215 . . . . 0.0 107.418 179.14 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 500' ' ' MXT . . . . . 0.828 ' O11' H231 ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 600' ' ' MXT . . . . . 0.769 ' O12' H231 ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.435 ' HB3' H122 ' A' ' 500' ' ' MXT . 16.2 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.294 0 O-C-N 125.664 1.852 . . . . 0.0 106.874 169.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.765 1 O-C-N 129.208 4.267 . . . . 0.0 107.94 -172.694 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.918 0 CA-C-N 121.041 1.746 . . . . 0.0 112.646 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.18 0 CA-C-N 114.255 -1.338 . . . . 0.0 110.958 178.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.194 0 C-N-CA 127.018 2.127 . . . . 0.0 110.218 -176.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.45 0 O-C-N 120.892 -1.13 . . . . 0.0 109.823 -176.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.26 1.638 0 N-CA-C 105.94 -1.874 . . . . 0.0 105.94 -178.079 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 127.14 2.775 . . . . 0.0 107.809 -178.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.758 0 CA-C-O 115.436 -2.221 . . . . 0.0 106.45 178.015 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.549 1 O-C-N 130.697 4.998 . . . . 0.0 106.318 178.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.135 0 CA-C-O 113.724 -3.036 . . . . 0.0 105.888 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-N 121.112 1.778 . . . . 0.0 110.055 -177.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.294 -1.827 0 O-C-N 125.916 2.01 . . . . 0.0 105.807 -176.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.367 0 O-C-N 127.498 2.999 . . . . 0.0 112.819 -176.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.949 0 O-C-N 127.216 2.822 . . . . 0.0 112.284 177.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.314 -0.943 0 O-C-N 119.085 -2.259 . . . . 0.0 111.925 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--O 1.226 -0.181 0 O-C-N 126.626 2.454 . . . . 0.0 109.676 -174.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.72 0 C-N-CA 124.657 3.571 . . . . 0.0 111.956 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.475 0.82 0 CA-C-N 111.746 -2.479 . . . . 0.0 106.737 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.255 0 O-C-N 127.448 3.341 . . . . 0.0 107.896 179.009 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.534 0 C-N-CA 121.837 1.692 . . . . 0.0 108.308 178.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.589 0 O-C-N 127.075 2.734 . . . . 0.0 112.175 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.992 0 C-N-CA 126.753 2.021 . . . . 0.0 114.903 -174.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.682 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 175.025 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 124.87 1.356 . . . . 0.0 113.695 -175.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.412 0 CA-C-O 117.435 -1.269 . . . . 0.0 112.782 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.314 0 CA-C-N 121.72 2.055 . . . . 0.0 114.928 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.309 -1.506 0 C-N-CA 122.177 1.918 . . . . 0.0 113.306 178.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.293 -1.877 0 C-N-CA 129.778 3.231 . . . . 0.0 112.269 178.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.313 -1.017 0 O-C-N 119.411 -2.056 . . . . 0.0 109.5 178.01 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.346 0 CA-C-O 115.577 -2.154 . . . . 0.0 109.219 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 127.392 2.932 . . . . 0.0 109.362 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.253 1.245 0 O-C-N 120.325 -1.485 . . . . 0.0 112.921 177.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-O 122.011 0.91 . . . . 0.0 113.344 179.012 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.274 0 C-N-CA 126.468 1.907 . . . . 0.0 109.232 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.802 0 O-C-N 125.107 1.504 . . . . 0.0 110.26 175.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.152 0 C-N-CA 127.03 2.132 . . . . 0.0 114.566 178.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.016 0 CA-C-O 117.095 -1.947 . . . . 0.0 112.345 178.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 118.11 0.955 . . . . 0.0 108.527 179.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 176.023 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.95 0 C-N-CA 123.91 0.884 . . . . 0.0 112.893 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.459 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 -175.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.31 -1.124 0 C-N-CA 125.052 1.341 . . . . 0.0 108.105 175.061 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 177.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.933 0 CA-C-N 114.304 -1.317 . . . . 0.0 110.114 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-O 115.986 -1.959 . . . . 0.0 112.264 178.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.571 0 C-N-CA 126.913 2.085 . . . . 0.0 116.601 -174.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.59 0 CA-C-O 122.711 1.243 . . . . 0.0 112.313 -178.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 122.347 2.032 . . . . 0.0 115.1 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 177.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.437 0 N-CA-C 115.167 1.543 . . . . 0.0 115.167 178.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.112 0 O-C-N 118.343 -2.723 . . . . 0.0 114.658 -179.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.303 0 N-CA-C 115.926 1.824 . . . . 0.0 115.926 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.502 -1.076 0 CA-C-N 120.317 1.149 . . . . 0.0 114.91 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.323 1.049 . . . . 0.0 112.024 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 O-C-N 125.117 1.511 . . . . 0.0 111.465 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.337 0 N-CA-C 116.926 2.195 . . . . 0.0 116.926 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 127.602 2.361 . . . . 0.0 115.575 -178.058 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.856 0 N-CA-C 117.141 2.274 . . . . 0.0 117.141 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.063 0 CA-C-O 115.69 -2.728 . . . . 0.0 118.865 177.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.925 0 CA-C-N 124.184 3.992 . . . . 0.0 111.397 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.483 1.175 0 CA-C-O 115.615 -2.136 . . . . 0.0 106.256 177.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.504 0 O-C-N 125.506 1.754 . . . . 0.0 107.609 -178.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.472 0 O-C-N 125.766 1.916 . . . . 0.0 111.522 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-O 122.077 0.941 . . . . 0.0 110.698 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.074 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.266 1.965 0 O-C-N 126.021 2.076 . . . . 0.0 116.245 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.78 0 CA-C-O 117.931 -1.033 . . . . 0.0 112.618 -178.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.485 1.953 0 N-CA-C 107.849 -2.1 . . . . 0.0 107.849 -178.362 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 125.342 2.496 . . . . 0.0 112.636 -177.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.246 0.884 0 CA-C-N 110.874 -2.876 . . . . 0.0 110.42 179.211 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -1.003 0 O-C-N 126.376 2.298 . . . . 0.0 105.416 176.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.399 0 N-CA-C 117.799 2.518 . . . . 0.0 117.799 -176.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 103.842 -2.651 . . . . 0.0 103.842 177.087 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 CA-C-N 112.03 -2.35 . . . . 0.0 108.04 -179.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.254 1.346 0 N-CA-C 118.542 2.177 . . . . 0.0 118.542 -178.243 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.663 0 O-C-N 121.464 -1.021 . . . . 0.0 112.242 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.621 0 CA-C-O 118.862 -0.589 . . . . 0.0 112.588 -177.156 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.839 0 CA-C-O 124.189 1.947 . . . . 0.0 110.026 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.875 0 CA-C-N 113.449 -1.705 . . . . 0.0 108.365 -178.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.463 0.483 0 CA-C-N 114.056 -1.429 . . . . 0.0 110.156 179.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 124.846 0.968 . . . . 0.0 109.977 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.995 0 CA-C-N 114.378 -1.283 . . . . 0.0 109.343 179.28 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.484 1.253 0 O-C-N 124.521 1.138 . . . . 0.0 110.194 178.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.853 0 N-CA-C 119.074 2.39 . . . . 0.0 119.074 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.833 0 O-C-N 120.89 -1.359 . . . . 0.0 109.06 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 107.067 -1.457 . . . . 0.0 107.067 178.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.914 0 O-C-N 125.654 1.846 . . . . 0.0 110.246 179.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.348 0.594 . . . . 0.0 111.929 -179.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 115.74 -2.076 . . . . 0.0 108.818 -177.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.898 0 O-C-N 127.261 2.851 . . . . 0.0 110.343 178.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 117.688 -1.149 . . . . 0.0 109.596 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 O-C-N 128.103 3.377 . . . . 0.0 112.837 -177.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.255 0 O-C-N 125.13 1.519 . . . . 0.0 111.753 -178.126 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 123.912 0.885 . . . . 0.0 110.262 178.227 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.292 -1.929 0 N-CA-C 117.996 2.591 . . . . 0.0 117.996 175.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.042 0 C-N-CA 124.063 0.945 . . . . 0.0 109.103 177.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 127.416 2.948 . . . . 0.0 111.37 -177.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.305 -1.369 0 C-N-CA 129.99 3.316 . . . . 0.0 109.041 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.246 0.914 0 O-C-N 126.796 2.56 . . . . 0.0 113.811 -178.155 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 115.288 1.588 . . . . 0.0 115.288 -178.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 124.776 1.298 . . . . 0.0 109.926 178.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.303 -1.42 0 C-N-CA 124.002 0.921 . . . . 0.0 109.176 179.026 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 123.485 0.714 . . . . 0.0 112.692 -178.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-O 116.979 -1.486 . . . . 0.0 111.002 -177.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.667 0 CA-C-O 116.746 -1.597 . . . . 0.0 110.683 -176.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.141 0 CA-C-N 119.608 1.095 . . . . 0.0 112.846 -178.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 124.999 1.32 . . . . 0.0 111.689 -178.449 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 125.034 1.459 . . . . 0.0 108.286 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 126.569 2.418 . . . . 0.0 111.634 -179.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.001 0 C-N-CA 120.179 -0.608 . . . . 0.0 110.493 177.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.728 0 N-CA-C 114.314 1.227 . . . . 0.0 114.314 -177.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 125.643 1.577 . . . . 0.0 111.248 177.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.466 0.657 0 O-C-N 121.307 -0.87 . . . . 0.0 114.261 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.51 -0.59 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 119.866 -1.771 . . . . 0.0 109.687 -179.342 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.921 0 N-CA-C 116.363 1.986 . . . . 0.0 116.363 -176.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 125.287 1.617 . . . . 0.0 110.316 -176.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 112.541 -2.118 . . . . 0.0 108.286 176.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 N-CA-C 104.514 -2.402 . . . . 0.0 104.514 178.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 125.396 1.685 . . . . 0.0 108.302 -177.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.268 0 O-C-N 125.916 2.01 . . . . 0.0 110.994 -175.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.466 0 O-C-N 126.266 2.719 . . . . 0.0 115.064 -176.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.257 1.483 0 O-C-N 120.427 -1.42 . . . . 0.0 113.88 177.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.366 0 N-CA-C 115.646 1.721 . . . . 0.0 115.646 -177.012 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.263 1.802 0 CA-C-O 115.092 -2.385 . . . . 0.0 112.793 -178.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.642 0 CA-C-N 120.912 1.687 . . . . 0.0 114.792 -177.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.059 0 C-N-CA 127.023 2.129 . . . . 0.0 111.217 -179.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 126.211 2.194 . . . . 0.0 110.486 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 125.393 1.477 . . . . 0.0 107.082 177.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.725 0 C-N-CA 126.518 1.927 . . . . 0.0 112.636 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.252 1.186 0 CA-C-N 113.174 -1.83 . . . . 0.0 111.396 -177.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.309 -1.171 0 C-N-CA 123.854 0.862 . . . . 0.0 113.171 -179.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 104.127 -2.546 . . . . 0.0 104.127 177.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 104.837 -2.283 . . . . 0.0 104.837 178.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 128.523 3.64 . . . . 0.0 116.972 -175.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.282 0 N-CA-C 105.307 -3.117 . . . . 0.0 105.307 177.075 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.343 0 O-C-N 128.46 3.094 . . . . 0.0 106.515 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.244 0.809 0 C-N-CA 118.94 -1.104 . . . . 0.0 112.748 -177.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.763 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 177.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.821 0 CA-C-O 122.447 1.117 . . . . 0.0 108.097 176.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.287 0 C-N-CA 121.529 1.486 . . . . 0.0 111.884 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 176.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 105.321 -2.103 . . . . 0.0 105.321 177.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 122.803 1.287 . . . . 0.0 110.076 -176.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.172 0 CA-C-N 112.664 -2.062 . . . . 0.0 112.737 178.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.236 0 CA-C-N 118.183 0.991 . . . . 0.0 110.768 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.931 0 O-C-N 123.488 1.257 . . . . 0.0 111.659 177.424 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 103.184 -2.895 . . . . 0.0 103.184 178.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.306 -1.316 0 O-C-N 126.856 2.597 . . . . 0.0 112.24 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.44 -1.658 0 N-CA-C 107.583 -1.737 . . . . 0.0 107.583 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.951 0 O-C-N 128.095 3.372 . . . . 0.0 103.023 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.266 1.94 0 CA-C-O 116.001 -1.952 . . . . 0.0 108.838 178.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.804 0 N-CA-C 104.083 -3.607 . . . . 0.0 104.083 -178.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.257 1.483 0 CA-C-O 115.689 -2.101 . . . . 0.0 109.526 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.725 0 N-CA-C 103.676 -2.713 . . . . 0.0 103.676 -176.161 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.066 0 O-C-N 127.737 3.148 . . . . 0.0 113.526 -178.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 106.325 -1.732 . . . . 0.0 106.325 -177.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.501 2.973 0 O-C-N 126.292 2.245 . . . . 0.0 107.649 -178.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 120.743 -1.445 . . . . 0.0 110.271 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.305 0 N-CA-C 100.644 -3.836 . . . . 0.0 100.644 -175.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.305 0 CA-C-O 115.202 -2.083 . . . . 0.0 112.057 178.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.808 0 CA-C-N 120.771 1.623 . . . . 0.0 109.573 177.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.405 0 CA-C-N 112.797 -2.001 . . . . 0.0 110.641 178.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.309 0 O-C-N 120.868 -1.145 . . . . 0.0 110.4 178.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.168 0 O-C-N 125.785 1.928 . . . . 0.0 110.29 -178.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.066 0 O-C-N 127.083 2.739 . . . . 0.0 107.015 178.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.598 0 CA-C-O 122.192 0.996 . . . . 0.0 112.928 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.884 0 O-C-N 117.449 -3.282 . . . . 0.0 114.6 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.813 0 O-C-N 125.592 1.808 . . . . 0.0 108.136 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.581 1 O-C-N 129.245 4.09 . . . . 0.0 109.775 179.176 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 120.058 -1.651 . . . . 0.0 111.88 179.046 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 125.082 1.353 . . . . 0.0 112.802 178.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.042 0 C-N-CA 128.058 2.742 . . . . 0.0 114.309 -178.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.283 0 C-N-CA 128.322 2.649 . . . . 0.0 111.502 -178.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 C-N-CA 117.593 -1.643 . . . . 0.0 107.371 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.289 -2.065 0 CA-C-O 117.289 -1.338 . . . . 0.0 109.025 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 N--CA 1.49 1.297 0 C-N-CA 122.862 2.374 . . . . 0.0 111.722 178.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.018 0 O-C-N 118.687 -2.508 . . . . 0.0 115.735 -178.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.059 0 C-N-CA 126.662 1.985 . . . . 0.0 110.894 -179.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.506 -0.887 0 C-N-CA 123.477 2.785 . . . . 0.0 115.463 178.034 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-N 121.271 1.851 . . . . 0.0 113.445 178.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 124.958 1.303 . . . . 0.0 107.991 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.822 0 C-N-CA 119.055 -1.058 . . . . 0.0 109.756 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.608 -0.682 . . . . 0.0 109.282 179.097 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 114.24 -1.346 . . . . 0.0 109.709 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-N 119.598 1.09 . . . . 0.0 111.899 -177.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 117.066 -1.445 . . . . 0.0 111.857 -177.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 -178.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.256 1.445 0 CA-C-N 114.554 -1.203 . . . . 0.0 109.193 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-O 124.864 2.268 . . . . 0.0 109.467 178.316 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.499 -1.014 0 CA-C-N 112.71 -2.041 . . . . 0.0 111.285 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-N 121.144 1.793 . . . . 0.0 112.734 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.323 0 CA-C-O 118.45 -0.786 . . . . 0.0 112.262 -176.282 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 O-C-N 124.05 0.844 . . . . 0.0 109.079 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-O 115.212 -2.328 . . . . 0.0 110.913 -178.149 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.229 0 O-C-N 127.598 3.061 . . . . 0.0 110.978 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.772 0 C-N-CA 127.402 2.281 . . . . 0.0 113.767 -177.139 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 125.946 2.029 . . . . 0.0 112.228 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.255 1.435 0 CA-C-N 121.268 1.849 . . . . 0.0 114.763 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.587 0 C-N-CA 124.766 1.226 . . . . 0.0 111.435 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 107.205 -1.405 . . . . 0.0 107.205 178.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 178.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 O-C-N 124.821 1.325 . . . . 0.0 110.027 -178.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 113.685 -1.598 . . . . 0.0 111.015 178.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.524 0 C-N-CA 127.167 2.187 . . . . 0.0 112.488 -178.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 113.708 -1.587 . . . . 0.0 111.972 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-O 116.776 -1.583 . . . . 0.0 111.673 -178.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 126.54 2.4 . . . . 0.0 107.572 178.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.437 -1.08 0 C-N-CA 126.394 1.878 . . . . 0.0 113.171 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.634 -179.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.192 0 O-C-N 124.431 1.082 . . . . 0.0 108.219 178.103 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 116.61 -1.662 . . . . 0.0 112.153 179.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.257 1.499 0 N-CA-C 115.963 1.838 . . . . 0.0 115.963 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 O-C-N 124.462 1.101 . . . . 0.0 111.097 -177.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.138 0 O-C-N 125.484 1.74 . . . . 0.0 111.343 -178.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.071 0 C-N-CA 127.299 2.24 . . . . 0.0 107.455 179.155 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 500' ' ' MXT . . . . . 0.841 H231 ' O11' ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 600' ' ' MXT . . . . . 0.744 H231 ' O12' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.821 ' N ' ' O12' ' A' ' 500' ' ' MXT . 43.3 t -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.85 ' N ' ' O12' ' A' ' 500' ' ' MXT . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.305 0 O-C-N 125.664 1.852 . . . . 0.0 106.864 167.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.745 1 O-C-N 129.163 4.244 . . . . 0.0 107.953 -174.725 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.905 0 CA-C-N 121.013 1.733 . . . . 0.0 112.602 -177.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.502 2.163 0 CA-C-N 114.267 -1.333 . . . . 0.0 110.919 -177.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.195 0 C-N-CA 127.008 2.123 . . . . 0.0 110.238 -177.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.451 0 O-C-N 120.909 -1.12 . . . . 0.0 109.845 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.6 0 N-CA-C 105.936 -1.876 . . . . 0.0 105.936 -177.245 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 127.127 2.767 . . . . 0.0 107.774 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.767 0 CA-C-O 115.395 -2.241 . . . . 0.0 106.492 179.193 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.572 1 O-C-N 130.694 4.996 . . . . 0.0 106.298 176.578 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.148 0 CA-C-O 113.7 -3.048 . . . . 0.0 105.899 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.466 0 CA-C-N 121.161 1.8 . . . . 0.0 110.046 -177.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 125.883 1.99 . . . . 0.0 105.77 -176.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.347 0 O-C-N 127.564 3.04 . . . . 0.0 112.798 -176.38 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.267 1.978 0 O-C-N 127.246 2.841 . . . . 0.0 112.21 177.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 122.173 2.26 . . . . 0.0 111.903 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--O 1.225 -0.225 0 O-C-N 126.659 2.475 . . . . 0.0 109.725 -174.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--O 1.242 0.681 0 C-N-CA 124.624 3.55 . . . . 0.0 111.945 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.475 0.816 0 CA-C-N 111.759 -2.473 . . . . 0.0 106.775 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.238 0 O-C-N 127.516 3.377 . . . . 0.0 107.917 178.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.329 -0.498 0 O-C-N 124.311 1.69 . . . . 0.0 108.309 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.619 0 O-C-N 127.023 2.702 . . . . 0.0 112.175 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -2.015 0 C-N-CA 126.773 2.029 . . . . 0.0 114.926 -174.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.694 0 N-CA-C 107.729 -1.211 . . . . 0.0 107.729 175.001 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 124.917 1.386 . . . . 0.0 113.595 -175.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.424 0 CA-C-O 117.423 -1.275 . . . . 0.0 112.796 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.297 0 CA-C-N 121.763 2.074 . . . . 0.0 114.945 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.311 -1.438 0 C-N-CA 122.128 1.885 . . . . 0.0 113.328 178.114 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.898 0 C-N-CA 129.787 3.235 . . . . 0.0 112.247 178.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.033 0 O-C-N 119.425 -2.047 . . . . 0.0 109.509 178.018 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.559 1.326 0 CA-C-O 115.607 -2.139 . . . . 0.0 109.238 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 127.336 2.898 . . . . 0.0 109.371 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.22 0 O-C-N 120.309 -1.495 . . . . 0.0 112.882 177.19 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-O 122.012 0.91 . . . . 0.0 113.341 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.252 0 C-N-CA 126.502 1.921 . . . . 0.0 109.281 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 125.077 1.485 . . . . 0.0 110.245 175.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.159 0 C-N-CA 127.065 2.146 . . . . 0.0 114.583 178.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 1.987 0 CA-C-O 117.13 -1.928 . . . . 0.0 112.376 178.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 118.138 0.969 . . . . 0.0 108.523 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 175.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.949 0 C-N-CA 123.932 0.893 . . . . 0.0 112.823 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.478 0 N-CA-C 114.946 1.462 . . . . 0.0 114.946 -175.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.072 0 C-N-CA 124.995 1.318 . . . . 0.0 108.084 175.057 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 177.266 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.947 0 CA-C-N 114.278 -1.328 . . . . 0.0 110.112 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-O 116.02 -1.943 . . . . 0.0 112.341 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.56 0 N-CA-C 116.554 2.057 . . . . 0.0 116.554 -174.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.57 0 CA-C-O 122.722 1.248 . . . . 0.0 112.295 -178.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 122.347 2.032 . . . . 0.0 115.142 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 177.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.408 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 178.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.114 0 O-C-N 118.372 -2.705 . . . . 0.0 114.666 -179.107 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.253 1.258 0 N-CA-C 115.984 1.846 . . . . 0.0 115.984 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.068 0 CA-C-N 120.225 1.116 . . . . 0.0 114.868 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.306 1.042 . . . . 0.0 112.038 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 O-C-N 125.042 1.464 . . . . 0.0 111.455 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.32 0 N-CA-C 116.931 2.197 . . . . 0.0 116.931 179.112 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 127.624 2.37 . . . . 0.0 115.57 -178.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.863 0 N-CA-C 117.155 2.28 . . . . 0.0 117.155 -178.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.068 0 CA-C-O 115.721 -2.71 . . . . 0.0 118.934 177.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.924 0 CA-C-N 124.125 3.963 . . . . 0.0 111.417 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-O 115.593 -2.146 . . . . 0.0 106.269 177.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.513 0 O-C-N 125.522 1.764 . . . . 0.0 107.608 -178.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.49 0 O-C-N 125.736 1.897 . . . . 0.0 111.477 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.368 0 CA-C-O 122.164 0.983 . . . . 0.0 110.696 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.248 1.022 0 N-CA-C 106.719 -1.586 . . . . 0.0 106.719 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 1.984 0 O-C-N 126.048 2.093 . . . . 0.0 116.173 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.264 1.82 0 CA-C-O 117.928 -1.034 . . . . 0.0 112.597 -178.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.485 1.931 0 N-CA-C 107.825 -2.11 . . . . 0.0 107.825 -178.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 125.324 2.488 . . . . 0.0 112.666 -177.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.839 0 CA-C-N 110.893 -2.867 . . . . 0.0 110.397 179.221 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.314 -0.954 0 O-C-N 126.346 2.279 . . . . 0.0 105.417 176.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.401 0 N-CA-C 117.788 2.514 . . . . 0.0 117.788 -176.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 178.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 103.849 -2.648 . . . . 0.0 103.849 177.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 CA-C-N 111.97 -2.377 . . . . 0.0 108.038 -179.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.309 0 N-CA-C 118.523 2.169 . . . . 0.0 118.523 -178.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.243 0.728 0 O-C-N 121.507 -0.996 . . . . 0.0 112.24 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.66 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -177.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-O 124.205 1.955 . . . . 0.0 110.057 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.915 0 CA-C-N 113.432 -1.713 . . . . 0.0 108.339 -178.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.463 0.47 0 CA-C-N 114.058 -1.428 . . . . 0.0 110.157 179.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 124.86 0.976 . . . . 0.0 109.969 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.993 0 CA-C-N 114.375 -1.284 . . . . 0.0 109.361 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.484 1.228 0 O-C-N 124.519 1.137 . . . . 0.0 110.177 178.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.31 -0.864 0 N-CA-C 119.048 2.379 . . . . 0.0 119.048 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.854 0 O-C-N 120.888 -1.36 . . . . 0.0 109.085 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 178.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.875 0 O-C-N 125.719 1.887 . . . . 0.0 110.308 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.339 0.59 . . . . 0.0 111.858 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 115.733 -2.08 . . . . 0.0 108.826 -177.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.912 0 O-C-N 127.236 2.835 . . . . 0.0 110.351 178.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 117.63 -1.176 . . . . 0.0 109.598 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 O-C-N 128.174 3.422 . . . . 0.0 112.822 -177.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.263 0 O-C-N 125.106 1.504 . . . . 0.0 111.718 -178.015 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 123.931 0.892 . . . . 0.0 110.23 178.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 118.047 2.61 . . . . 0.0 118.047 175.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.313 -1.02 0 C-N-CA 124.063 0.945 . . . . 0.0 109.052 177.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 127.436 2.96 . . . . 0.0 111.319 -177.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.305 -1.351 0 C-N-CA 129.977 3.311 . . . . 0.0 108.962 178.295 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.942 0 O-C-N 126.752 2.533 . . . . 0.0 113.737 -178.133 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 115.284 1.587 . . . . 0.0 115.284 -178.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 124.666 1.229 . . . . 0.0 109.937 178.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.303 -1.436 0 C-N-CA 124.045 0.938 . . . . 0.0 109.161 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 123.502 0.721 . . . . 0.0 112.719 -178.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-O 116.976 -1.487 . . . . 0.0 110.981 -177.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.668 0 CA-C-O 116.758 -1.591 . . . . 0.0 110.683 -176.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.165 0 CA-C-N 119.554 1.07 . . . . 0.0 112.849 -178.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 124.976 1.31 . . . . 0.0 111.636 -178.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 125.049 1.468 . . . . 0.0 108.335 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 126.547 2.404 . . . . 0.0 111.641 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 0.985 0 C-N-CA 120.166 -0.614 . . . . 0.0 110.533 177.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 -177.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.522 0 C-N-CA 125.724 1.609 . . . . 0.0 111.272 177.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.466 0.668 0 O-C-N 121.301 -0.875 . . . . 0.0 114.31 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.647 0 O-C-N 119.829 -1.794 . . . . 0.0 109.669 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.902 0 N-CA-C 116.353 1.983 . . . . 0.0 116.353 -176.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 125.306 1.629 . . . . 0.0 110.29 -176.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 112.538 -2.119 . . . . 0.0 108.325 176.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 N-CA-C 104.526 -2.398 . . . . 0.0 104.526 178.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 125.443 1.714 . . . . 0.0 108.276 -177.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.272 0 O-C-N 125.868 1.98 . . . . 0.0 110.993 -175.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.433 0 O-C-N 126.277 2.725 . . . . 0.0 115.002 -176.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.551 0 O-C-N 120.462 -1.399 . . . . 0.0 113.841 177.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.367 0 N-CA-C 115.578 1.695 . . . . 0.0 115.578 -176.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.263 1.815 0 CA-C-O 115.149 -2.357 . . . . 0.0 112.826 -178.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.65 0 CA-C-N 120.863 1.665 . . . . 0.0 114.847 -178.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.034 0 C-N-CA 127.026 2.13 . . . . 0.0 111.251 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 O-C-N 126.212 2.195 . . . . 0.0 110.488 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 125.413 1.485 . . . . 0.0 107.087 177.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.715 0 C-N-CA 126.558 1.943 . . . . 0.0 112.607 178.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.171 0 CA-C-N 113.189 -1.823 . . . . 0.0 111.42 -177.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.132 0 C-N-CA 123.774 0.83 . . . . 0.0 113.178 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 104.142 -2.54 . . . . 0.0 104.142 177.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 104.85 -2.278 . . . . 0.0 104.85 178.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 128.49 3.618 . . . . 0.0 116.99 -175.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.318 0 N-CA-C 105.271 -3.132 . . . . 0.0 105.271 177.118 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.346 0 O-C-N 128.448 3.087 . . . . 0.0 106.541 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.244 0.804 0 C-N-CA 118.925 -1.11 . . . . 0.0 112.722 -177.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 177.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.839 0 CA-C-O 122.444 1.116 . . . . 0.0 108.091 176.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.295 0 C-N-CA 121.502 1.468 . . . . 0.0 111.849 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 177.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 105.331 -2.1 . . . . 0.0 105.331 177.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 122.822 1.296 . . . . 0.0 110.098 -176.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.176 0 CA-C-N 112.643 -2.071 . . . . 0.0 112.746 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.307 -1.253 0 CA-C-N 118.182 0.991 . . . . 0.0 110.749 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.945 0 O-C-N 123.502 1.264 . . . . 0.0 111.65 177.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.022 0 N-CA-C 103.164 -2.902 . . . . 0.0 103.164 178.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.341 0 O-C-N 126.858 2.599 . . . . 0.0 112.242 -178.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.69 0 N-CA-C 107.575 -1.74 . . . . 0.0 107.575 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.94 0 O-C-N 128.058 3.349 . . . . 0.0 103.017 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.994 0 CA-C-O 115.977 -1.963 . . . . 0.0 108.874 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.839 0 N-CA-C 104.063 -3.615 . . . . 0.0 104.063 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.516 0 CA-C-O 115.662 -2.113 . . . . 0.0 109.492 -178.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.746 0 N-CA-C 103.687 -2.708 . . . . 0.0 103.687 -178.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.498 -1.057 0 O-C-N 127.734 3.146 . . . . 0.0 113.532 -178.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 106.375 -1.713 . . . . 0.0 106.375 -177.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.499 2.884 0 O-C-N 126.248 2.217 . . . . 0.0 107.654 -179.3 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.074 -2.427 . . . . 0.0 110.271 -177.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--N 1.302 -1.472 0 N-CA-C 100.648 -3.834 . . . . 0.0 100.648 -175.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.316 0 CA-C-O 115.23 -2.071 . . . . 0.0 112.093 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.813 0 CA-C-N 120.715 1.598 . . . . 0.0 109.629 177.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.274 2.378 0 CA-C-N 112.808 -1.996 . . . . 0.0 110.631 178.297 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.292 0 O-C-N 120.931 -1.106 . . . . 0.0 110.39 178.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.556 1.177 0 O-C-N 125.764 1.915 . . . . 0.0 110.262 -178.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.069 0 O-C-N 127.032 2.708 . . . . 0.0 107.02 178.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.484 -1.582 0 CA-C-O 122.2 1.0 . . . . 0.0 112.937 177.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.442 -0.868 0 O-C-N 117.529 -3.232 . . . . 0.0 114.576 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.792 0 O-C-N 125.557 1.786 . . . . 0.0 108.166 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.55 1 O-C-N 129.267 4.105 . . . . 0.0 109.75 179.209 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 120.065 -1.647 . . . . 0.0 111.83 179.115 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 125.08 1.352 . . . . 0.0 112.788 178.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.067 0 C-N-CA 128.03 2.729 . . . . 0.0 114.275 -178.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.248 0 C-N-CA 128.255 2.622 . . . . 0.0 111.521 -178.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 C-N-CA 117.559 -1.656 . . . . 0.0 107.366 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.071 0 CA-C-O 117.257 -1.354 . . . . 0.0 109.042 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.312 0 C-N-CA 122.884 2.389 . . . . 0.0 111.786 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.013 0 O-C-N 118.693 -2.504 . . . . 0.0 115.709 -178.51 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.046 0 C-N-CA 126.657 1.983 . . . . 0.0 110.918 178.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.955 0 C-N-CA 123.393 2.729 . . . . 0.0 115.508 175.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-N 121.284 1.856 . . . . 0.0 113.492 177.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 124.96 1.304 . . . . 0.0 108.043 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.839 0 C-N-CA 119.063 -1.055 . . . . 0.0 109.752 179.086 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.601 -0.687 . . . . 0.0 109.291 179.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 C--O 1.244 0.764 0 CA-C-N 114.286 -1.325 . . . . 0.0 109.735 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 119.584 1.084 . . . . 0.0 111.931 -177.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-O 117.089 -1.434 . . . . 0.0 111.848 -178.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 -178.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.451 0 CA-C-N 114.577 -1.192 . . . . 0.0 109.183 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-O 124.9 2.286 . . . . 0.0 109.414 178.34 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.032 0 CA-C-N 112.757 -2.02 . . . . 0.0 111.287 178.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-N 121.158 1.799 . . . . 0.0 112.768 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.253 1.272 0 CA-C-O 118.463 -0.78 . . . . 0.0 112.3 -176.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 O-C-N 124.104 0.878 . . . . 0.0 109.106 -179.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-O 115.265 -2.303 . . . . 0.0 110.868 -178.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.309 -1.184 0 O-C-N 127.559 3.037 . . . . 0.0 111.019 179.03 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.788 0 C-N-CA 127.395 2.278 . . . . 0.0 113.751 -177.144 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 125.98 2.05 . . . . 0.0 112.16 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.365 0 CA-C-N 121.345 1.884 . . . . 0.0 114.862 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.587 0 C-N-CA 124.762 1.225 . . . . 0.0 111.427 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 107.113 -1.44 . . . . 0.0 107.113 178.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 178.222 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 O-C-N 124.812 1.32 . . . . 0.0 110.059 -178.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 113.64 -1.618 . . . . 0.0 111.037 178.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 127.157 2.183 . . . . 0.0 112.506 -178.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 113.708 -1.587 . . . . 0.0 111.953 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.663 0 CA-C-O 116.783 -1.58 . . . . 0.0 111.67 -178.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 126.555 2.409 . . . . 0.0 107.554 178.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.026 0 C-N-CA 126.394 1.878 . . . . 0.0 113.155 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.626 -179.221 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.163 0 O-C-N 124.404 1.065 . . . . 0.0 108.228 178.121 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-O 116.548 -1.692 . . . . 0.0 112.11 179.033 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.503 0 N-CA-C 115.916 1.821 . . . . 0.0 115.916 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.688 0 O-C-N 124.421 1.076 . . . . 0.0 111.118 -177.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.126 0 O-C-N 125.486 1.741 . . . . 0.0 111.338 -178.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.051 0 C-N-CA 127.296 2.238 . . . . 0.0 107.453 179.054 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 500' ' ' MXT . . . . . 0.877 H231 ' O11' ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 600' ' ' MXT . . . . . 0.889 ' O11' H231 ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.496 ' HB2' H121 ' A' ' 500' ' ' MXT . 28.1 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.506 2.335 0 O-C-N 125.664 1.852 . . . . 0.0 106.868 169.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.717 1 O-C-N 129.174 4.25 . . . . 0.0 107.94 -176.064 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.909 0 CA-C-N 120.968 1.713 . . . . 0.0 112.629 -178.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.502 2.147 0 CA-C-N 114.26 -1.336 . . . . 0.0 110.956 -176.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.185 0 C-N-CA 126.976 2.11 . . . . 0.0 110.202 -177.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.256 1.421 0 O-C-N 120.858 -1.151 . . . . 0.0 109.829 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.554 0 N-CA-C 105.899 -1.889 . . . . 0.0 105.899 179.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 127.155 2.785 . . . . 0.0 107.815 176.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.779 0 CA-C-O 115.499 -2.191 . . . . 0.0 106.41 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.529 1 O-C-N 130.65 4.969 . . . . 0.0 106.279 174.036 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.166 0 CA-C-O 113.728 -3.034 . . . . 0.0 105.878 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.435 0 CA-C-N 121.177 1.808 . . . . 0.0 109.991 -177.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.296 -1.758 0 O-C-N 125.862 1.976 . . . . 0.0 105.798 -176.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.35 0 O-C-N 127.483 2.989 . . . . 0.0 112.733 -176.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.926 0 O-C-N 127.227 2.829 . . . . 0.0 112.257 177.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.901 0 O-C-N 119.072 -2.268 . . . . 0.0 111.927 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.33 -0.252 0 O-C-N 126.671 2.482 . . . . 0.0 109.699 -174.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.716 0 C-N-CA 124.648 3.565 . . . . 0.0 111.948 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.842 0 CA-C-N 111.724 -2.489 . . . . 0.0 106.795 179.112 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.315 -1.231 0 O-C-N 127.451 3.343 . . . . 0.0 107.857 179.06 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.521 0 O-C-N 124.304 1.686 . . . . 0.0 108.296 178.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.6 0 O-C-N 127.063 2.727 . . . . 0.0 112.123 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.986 0 C-N-CA 126.758 2.023 . . . . 0.0 114.915 -174.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.696 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 175.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 124.892 1.37 . . . . 0.0 113.62 -175.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.434 0 CA-C-O 117.412 -1.28 . . . . 0.0 112.798 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.314 0 CA-C-N 121.711 2.051 . . . . 0.0 114.945 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.478 0 C-N-CA 122.189 1.926 . . . . 0.0 113.322 178.114 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.292 -1.892 0 C-N-CA 129.773 3.229 . . . . 0.0 112.306 178.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.028 0 O-C-N 119.436 -2.04 . . . . 0.0 109.545 177.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.342 0 CA-C-O 115.581 -2.152 . . . . 0.0 109.256 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 127.408 2.942 . . . . 0.0 109.392 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.253 1.259 0 O-C-N 120.329 -1.482 . . . . 0.0 112.845 177.18 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-O 122.007 0.908 . . . . 0.0 113.308 179.08 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.271 0 C-N-CA 126.511 1.924 . . . . 0.0 109.271 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.78 0 O-C-N 125.128 1.517 . . . . 0.0 110.28 175.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.16 0 C-N-CA 127.092 2.157 . . . . 0.0 114.599 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 1.982 0 CA-C-O 117.083 -1.954 . . . . 0.0 112.387 178.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.42 0 CA-C-N 118.117 0.959 . . . . 0.0 108.48 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 107.294 -1.373 . . . . 0.0 107.294 176.017 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.963 0 C-N-CA 123.938 0.895 . . . . 0.0 112.883 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.455 0 N-CA-C 114.973 1.471 . . . . 0.0 114.973 -175.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.087 0 C-N-CA 125.008 1.323 . . . . 0.0 108.092 175.123 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 107.929 -1.138 . . . . 0.0 107.929 177.313 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.954 0 CA-C-N 114.311 -1.313 . . . . 0.0 110.097 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-O 115.953 -1.975 . . . . 0.0 112.34 178.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.567 0 N-CA-C 116.567 2.062 . . . . 0.0 116.567 -174.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.583 0 CA-C-O 122.741 1.258 . . . . 0.0 112.297 -178.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 122.397 2.065 . . . . 0.0 115.116 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 177.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.447 0 N-CA-C 115.191 1.552 . . . . 0.0 115.191 178.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.131 0 O-C-N 118.311 -2.743 . . . . 0.0 114.649 -179.112 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.298 0 N-CA-C 116.006 1.854 . . . . 0.0 116.006 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.041 0 CA-C-N 120.216 1.113 . . . . 0.0 114.857 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.264 1.025 . . . . 0.0 112.012 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 O-C-N 125.098 1.499 . . . . 0.0 111.471 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.255 1.344 0 N-CA-C 116.913 2.19 . . . . 0.0 116.913 179.103 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.674 0 C-N-CA 127.654 2.382 . . . . 0.0 115.593 -178.091 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.246 0.871 0 N-CA-C 117.123 2.268 . . . . 0.0 117.123 -178.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.06 0 CA-C-O 115.663 -2.743 . . . . 0.0 118.861 177.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.948 0 CA-C-N 124.17 3.985 . . . . 0.0 111.424 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-O 115.616 -2.135 . . . . 0.0 106.293 177.519 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.501 0 O-C-N 125.544 1.778 . . . . 0.0 107.678 -179.004 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.454 0 O-C-N 125.759 1.912 . . . . 0.0 111.513 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-O 122.087 0.946 . . . . 0.0 110.727 179.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.07 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.266 1.96 0 O-C-N 126.038 2.086 . . . . 0.0 116.202 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.801 0 CA-C-O 117.876 -1.059 . . . . 0.0 112.552 -178.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.485 1.929 0 N-CA-C 107.797 -2.121 . . . . 0.0 107.797 -178.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 125.298 2.475 . . . . 0.0 112.69 -177.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.853 0 CA-C-N 110.916 -2.856 . . . . 0.0 110.407 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -0.981 0 O-C-N 126.319 2.262 . . . . 0.0 105.414 176.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.347 0 N-CA-C 117.771 2.508 . . . . 0.0 117.771 -176.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 178.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 103.831 -2.655 . . . . 0.0 103.831 177.081 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 CA-C-N 111.992 -2.367 . . . . 0.0 108.026 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.307 0 N-CA-C 118.532 2.173 . . . . 0.0 118.532 -178.258 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 O-C-N 121.445 -1.033 . . . . 0.0 112.245 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.672 0 O-C-N 123.681 0.613 . . . . 0.0 112.567 -177.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.865 0 CA-C-O 124.277 1.989 . . . . 0.0 110.035 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.895 0 CA-C-N 113.422 -1.717 . . . . 0.0 108.401 -178.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.464 0.502 0 CA-C-N 114.021 -1.445 . . . . 0.0 110.151 179.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 124.779 0.929 . . . . 0.0 110.009 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 1.0 0 CA-C-N 114.405 -1.27 . . . . 0.0 109.367 179.279 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.211 0 O-C-N 124.506 1.129 . . . . 0.0 110.22 178.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 CA--C 1.501 -0.839 0 N-CA-C 119.035 2.374 . . . . 0.0 119.035 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.822 0 O-C-N 120.87 -1.37 . . . . 0.0 109.038 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.295 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 178.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.884 0 O-C-N 125.724 1.89 . . . . 0.0 110.296 179.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.342 0.591 . . . . 0.0 111.919 -179.241 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 115.702 -2.094 . . . . 0.0 108.815 -177.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.92 0 O-C-N 127.259 2.85 . . . . 0.0 110.362 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-O 117.629 -1.177 . . . . 0.0 109.544 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 O-C-N 128.14 3.4 . . . . 0.0 112.788 -177.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.273 0 O-C-N 125.092 1.495 . . . . 0.0 111.698 -178.011 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 123.903 0.881 . . . . 0.0 110.157 178.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 118.056 2.613 . . . . 0.0 118.056 175.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.053 0 C-N-CA 124.112 0.965 . . . . 0.0 109.07 177.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 127.376 2.922 . . . . 0.0 111.359 -177.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.387 0 C-N-CA 129.998 3.319 . . . . 0.0 109.003 178.268 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.929 0 O-C-N 126.795 2.559 . . . . 0.0 113.745 -178.145 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 115.288 1.588 . . . . 0.0 115.288 -178.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 124.671 1.232 . . . . 0.0 109.972 178.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.303 -1.414 0 C-N-CA 124.048 0.939 . . . . 0.0 109.204 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.878 0 C-N-CA 123.525 0.73 . . . . 0.0 112.703 -178.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 1.5 p -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-O 117.011 -1.471 . . . . 0.0 110.995 -177.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 CA-C-O 116.759 -1.591 . . . . 0.0 110.7 -176.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.159 0 CA-C-N 119.547 1.067 . . . . 0.0 112.801 -178.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 124.91 1.284 . . . . 0.0 111.716 -178.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 125.007 1.442 . . . . 0.0 108.291 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 126.574 2.422 . . . . 0.0 111.634 -178.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.025 0 C-N-CA 120.173 -0.611 . . . . 0.0 110.496 177.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 114.309 1.226 . . . . 0.0 114.309 -177.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 125.724 1.61 . . . . 0.0 111.236 177.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 C--O 1.243 0.673 0 O-C-N 121.339 -0.851 . . . . 0.0 114.238 -179.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.51 -0.588 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 179.253 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 119.856 -1.778 . . . . 0.0 109.646 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 116.364 1.987 . . . . 0.0 116.364 -176.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 125.259 1.599 . . . . 0.0 110.313 -176.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--O 1.212 -0.914 0 CA-C-N 112.495 -2.139 . . . . 0.0 108.283 176.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 N-CA-C 104.492 -2.41 . . . . 0.0 104.492 178.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 125.433 1.708 . . . . 0.0 108.283 -177.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.301 0 O-C-N 125.87 1.981 . . . . 0.0 111.019 -175.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.442 0 O-C-N 126.29 2.732 . . . . 0.0 115.004 -176.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.259 1.559 0 O-C-N 120.406 -1.434 . . . . 0.0 113.851 177.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.39 0 N-CA-C 115.613 1.708 . . . . 0.0 115.613 -176.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.264 1.862 0 CA-C-O 115.085 -2.388 . . . . 0.0 112.765 -178.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.637 0 CA-C-N 120.959 1.709 . . . . 0.0 114.806 -177.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.311 -1.077 0 C-N-CA 127.045 2.138 . . . . 0.0 111.15 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 O-C-N 126.181 2.175 . . . . 0.0 110.475 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 125.369 1.468 . . . . 0.0 107.066 177.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.737 0 C-N-CA 126.575 1.95 . . . . 0.0 112.617 178.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.252 1.191 0 CA-C-N 113.211 -1.813 . . . . 0.0 111.43 -177.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.14 0 C-N-CA 123.85 0.86 . . . . 0.0 113.191 -179.106 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 104.162 -2.533 . . . . 0.0 104.162 177.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 104.818 -2.289 . . . . 0.0 104.818 178.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 128.492 3.62 . . . . 0.0 116.989 -175.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.335 0 N-CA-C 105.285 -3.126 . . . . 0.0 105.285 177.091 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.273 2.321 0 O-C-N 128.507 3.122 . . . . 0.0 106.505 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.859 0 C-N-CA 118.932 -1.107 . . . . 0.0 112.706 -177.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.773 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 177.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.831 0 CA-C-O 122.464 1.126 . . . . 0.0 108.044 176.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.445 -1.332 0 C-N-CA 121.534 1.49 . . . . 0.0 111.878 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.313 -0.996 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 176.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 105.357 -2.09 . . . . 0.0 105.357 177.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 122.801 1.286 . . . . 0.0 110.081 -176.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.25 1.133 0 CA-C-N 112.676 -2.057 . . . . 0.0 112.792 178.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.212 0 CA-C-N 118.146 0.973 . . . . 0.0 110.734 179.164 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.916 0 O-C-N 123.462 1.243 . . . . 0.0 111.624 177.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.051 0 N-CA-C 103.144 -2.91 . . . . 0.0 103.144 179.037 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.333 0 O-C-N 126.913 2.633 . . . . 0.0 112.233 -178.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.44 -1.638 0 N-CA-C 107.565 -1.744 . . . . 0.0 107.565 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.977 0 O-C-N 128.113 3.383 . . . . 0.0 102.966 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.984 0 CA-C-O 116.03 -1.938 . . . . 0.0 108.812 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 C--N 1.293 -1.814 0 N-CA-C 104.115 -3.594 . . . . 0.0 104.115 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.257 1.495 0 CA-C-O 115.656 -2.116 . . . . 0.0 109.484 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.569 1.711 0 N-CA-C 103.683 -2.71 . . . . 0.0 103.683 -177.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.07 0 O-C-N 127.711 3.132 . . . . 0.0 113.55 -176.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 106.34 -1.726 . . . . 0.0 106.34 -179.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.501 2.981 0 O-C-N 126.258 2.224 . . . . 0.0 107.626 -178.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 120.669 -1.489 . . . . 0.0 110.271 -177.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.335 1 O-C-N 115.465 -4.522 . . . . 0.0 100.657 -173.602 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.445 -1.324 0 CA-C-O 115.22 -2.075 . . . . 0.0 112.13 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.272 -2.799 0 CA-C-N 120.725 1.602 . . . . 0.0 109.577 177.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.274 2.394 0 CA-C-N 112.823 -1.989 . . . . 0.0 110.609 178.285 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.281 0 O-C-N 120.918 -1.114 . . . . 0.0 110.366 178.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.148 0 O-C-N 125.774 1.921 . . . . 0.0 110.27 -178.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.07 0 O-C-N 127.007 2.692 . . . . 0.0 107.031 178.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.61 0 CA-C-O 122.22 1.01 . . . . 0.0 112.903 177.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.909 0 O-C-N 117.426 -3.296 . . . . 0.0 114.587 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.815 0 O-C-N 125.581 1.801 . . . . 0.0 108.166 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.299 -1.588 1 O-C-N 129.21 4.069 . . . . 0.0 109.732 179.185 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 120.023 -1.673 . . . . 0.0 111.879 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 125.084 1.354 . . . . 0.0 112.769 178.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.049 0 C-N-CA 127.977 2.703 . . . . 0.0 114.343 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.267 0 C-N-CA 128.276 2.63 . . . . 0.0 111.491 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 C-N-CA 117.591 -1.644 . . . . 0.0 107.398 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.098 0 CA-C-O 117.312 -1.327 . . . . 0.0 108.992 -179.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 N--CA 1.49 1.287 0 C-N-CA 122.883 2.389 . . . . 0.0 111.755 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.018 0 O-C-N 118.652 -2.53 . . . . 0.0 115.69 -178.058 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.311 -1.081 0 C-N-CA 126.621 1.968 . . . . 0.0 110.924 -178.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.936 0 C-N-CA 123.41 2.74 . . . . 0.0 115.527 177.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-N 121.242 1.837 . . . . 0.0 113.409 178.027 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 124.979 1.312 . . . . 0.0 108.01 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.244 0.813 0 C-N-CA 119.092 -1.043 . . . . 0.0 109.75 179.135 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.547 -0.72 . . . . 0.0 109.258 179.092 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 114.254 -1.339 . . . . 0.0 109.741 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 119.554 1.07 . . . . 0.0 111.954 -177.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-O 117.059 -1.448 . . . . 0.0 111.862 -178.041 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 -178.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.494 0 CA-C-N 114.62 -1.173 . . . . 0.0 109.135 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-O 124.891 2.281 . . . . 0.0 109.442 178.313 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.499 -1.012 0 CA-C-N 112.705 -2.043 . . . . 0.0 111.258 178.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-N 121.123 1.783 . . . . 0.0 112.758 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.31 0 CA-C-O 118.421 -0.8 . . . . 0.0 112.279 -176.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 O-C-N 124.105 0.878 . . . . 0.0 109.126 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-O 115.171 -2.347 . . . . 0.0 110.883 -178.102 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.227 0 O-C-N 127.611 3.069 . . . . 0.0 111.014 179.041 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.768 0 C-N-CA 127.436 2.294 . . . . 0.0 113.741 -177.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 125.931 2.02 . . . . 0.0 112.2 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.255 1.409 0 CA-C-N 121.293 1.861 . . . . 0.0 114.796 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.554 0 C-N-CA 124.821 1.248 . . . . 0.0 111.42 179.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 178.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 178.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 O-C-N 124.827 1.329 . . . . 0.0 110.015 -178.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 113.666 -1.607 . . . . 0.0 111.05 178.333 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 127.092 2.157 . . . . 0.0 112.536 -178.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 113.697 -1.592 . . . . 0.0 111.959 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.659 0 CA-C-O 116.738 -1.601 . . . . 0.0 111.661 -178.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 126.526 2.391 . . . . 0.0 107.543 178.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 C--N 1.312 -1.038 0 C-N-CA 126.407 1.883 . . . . 0.0 113.147 179.275 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.592 -179.174 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.308 -1.221 0 O-C-N 124.477 1.11 . . . . 0.0 108.238 178.092 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-O 116.577 -1.677 . . . . 0.0 112.146 179.066 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.5 0 N-CA-C 115.881 1.808 . . . . 0.0 115.881 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 O-C-N 124.474 1.109 . . . . 0.0 111.103 -177.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.134 0 O-C-N 125.472 1.732 . . . . 0.0 111.371 -178.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.098 0 C-N-CA 127.274 2.23 . . . . 0.0 107.454 179.112 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 500' ' ' MXT . . . . . 0.601 H221 ' O11' ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 600' ' ' MXT . . . . . 0.859 ' O11' H231 ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.501 ' HB3' H122 ' A' ' 500' ' ' MXT . 0.5 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.316 0 O-C-N 125.664 1.852 . . . . 0.0 106.845 170.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.738 1 O-C-N 129.223 4.275 . . . . 0.0 107.996 -176.401 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.924 0 CA-C-N 121.021 1.737 . . . . 0.0 112.621 -177.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.194 0 CA-C-N 114.197 -1.365 . . . . 0.0 110.923 -178.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.189 0 C-N-CA 126.991 2.116 . . . . 0.0 110.219 -177.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.474 0 O-C-N 120.87 -1.144 . . . . 0.0 109.848 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.597 0 N-CA-C 105.913 -1.884 . . . . 0.0 105.913 -178.044 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 127.138 2.774 . . . . 0.0 107.833 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.57 1.74 0 CA-C-O 115.494 -2.193 . . . . 0.0 106.439 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.562 1 O-C-N 130.642 4.964 . . . . 0.0 106.336 171.267 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.137 0 CA-C-O 113.74 -3.029 . . . . 0.0 105.836 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.452 0 CA-C-N 121.094 1.77 . . . . 0.0 110.057 -177.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.768 0 O-C-N 125.848 1.967 . . . . 0.0 105.771 -176.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.386 0 O-C-N 127.469 2.981 . . . . 0.0 112.756 -176.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.937 0 O-C-N 127.188 2.805 . . . . 0.0 112.26 177.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 122.12 2.236 . . . . 0.0 111.877 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.33 -0.242 0 O-C-N 126.69 2.494 . . . . 0.0 109.658 -174.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.727 0 C-N-CA 124.634 3.556 . . . . 0.0 111.941 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.836 0 CA-C-N 111.735 -2.484 . . . . 0.0 106.761 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.313 -1.317 0 O-C-N 127.497 3.367 . . . . 0.0 107.91 178.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.329 -0.467 0 O-C-N 124.279 1.673 . . . . 0.0 108.349 178.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.59 0 O-C-N 127.017 2.698 . . . . 0.0 112.172 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.291 -1.968 0 C-N-CA 126.765 2.026 . . . . 0.0 114.869 -174.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.691 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 174.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 124.864 1.352 . . . . 0.0 113.618 -175.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.257 1.448 0 CA-C-O 117.439 -1.267 . . . . 0.0 112.817 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.338 0 CA-C-N 121.755 2.07 . . . . 0.0 114.93 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.311 -1.433 0 C-N-CA 122.176 1.918 . . . . 0.0 113.342 178.075 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.873 0 C-N-CA 129.734 3.214 . . . . 0.0 112.326 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.052 0 O-C-N 119.475 -2.016 . . . . 0.0 109.506 177.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.331 0 CA-C-O 115.614 -2.136 . . . . 0.0 109.273 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 127.371 2.919 . . . . 0.0 109.384 179.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.21 0 O-C-N 120.292 -1.505 . . . . 0.0 112.888 177.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-O 122.011 0.91 . . . . 0.0 113.355 178.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.252 0 C-N-CA 126.444 1.898 . . . . 0.0 109.242 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.296 -1.761 0 O-C-N 125.036 1.46 . . . . 0.0 110.23 175.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.145 0 C-N-CA 127.06 2.144 . . . . 0.0 114.63 178.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 1.989 0 CA-C-O 117.096 -1.947 . . . . 0.0 112.347 178.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-N 118.127 0.963 . . . . 0.0 108.537 179.227 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 176.044 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.961 0 C-N-CA 123.873 0.869 . . . . 0.0 112.832 -179.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.256 1.442 0 N-CA-C 114.948 1.462 . . . . 0.0 114.948 -175.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.09 0 C-N-CA 125.039 1.335 . . . . 0.0 108.087 175.111 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 177.258 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.939 0 CA-C-N 114.257 -1.338 . . . . 0.0 110.075 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 115.984 -1.96 . . . . 0.0 112.31 178.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.579 0 C-N-CA 126.856 2.063 . . . . 0.0 116.541 -174.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.602 0 CA-C-O 122.754 1.264 . . . . 0.0 112.296 -178.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.448 -1.181 0 C-N-CA 122.366 2.044 . . . . 0.0 115.095 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 177.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.446 0 N-CA-C 115.166 1.543 . . . . 0.0 115.166 178.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.117 0 O-C-N 118.318 -2.739 . . . . 0.0 114.626 -179.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.253 1.268 0 N-CA-C 115.93 1.826 . . . . 0.0 115.93 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.068 0 CA-C-N 120.28 1.136 . . . . 0.0 114.889 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.302 1.041 . . . . 0.0 112.0 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 O-C-N 125.088 1.493 . . . . 0.0 111.467 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.255 1.344 0 N-CA-C 116.912 2.19 . . . . 0.0 116.912 179.127 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 127.651 2.38 . . . . 0.0 115.62 -178.09 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.246 0.896 0 N-CA-C 117.082 2.253 . . . . 0.0 117.082 -178.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.482 -2.013 0 CA-C-O 115.678 -2.734 . . . . 0.0 118.834 177.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.946 0 CA-C-N 124.168 3.984 . . . . 0.0 111.395 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-O 115.636 -2.126 . . . . 0.0 106.233 177.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.511 0 O-C-N 125.531 1.769 . . . . 0.0 107.663 -179.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.491 0 O-C-N 125.783 1.927 . . . . 0.0 111.463 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-O 122.08 0.943 . . . . 0.0 110.723 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.066 0 N-CA-C 106.74 -1.578 . . . . 0.0 106.74 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 1.985 0 O-C-N 126.021 2.076 . . . . 0.0 116.18 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.262 1.757 0 CA-C-O 117.943 -1.027 . . . . 0.0 112.617 -178.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 2.001 0 N-CA-C 107.771 -2.131 . . . . 0.0 107.771 -178.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 125.328 2.49 . . . . 0.0 112.716 -177.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.865 0 CA-C-N 110.9 -2.864 . . . . 0.0 110.408 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -0.985 0 O-C-N 126.349 2.281 . . . . 0.0 105.438 176.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.404 0 N-CA-C 117.802 2.519 . . . . 0.0 117.802 -176.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 178.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 103.868 -2.641 . . . . 0.0 103.868 177.028 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 CA-C-N 111.993 -2.367 . . . . 0.0 108.059 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.304 0 N-CA-C 118.563 2.185 . . . . 0.0 118.563 -178.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.707 0 O-C-N 121.48 -1.012 . . . . 0.0 112.221 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.606 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -177.174 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.865 0 CA-C-O 124.202 1.954 . . . . 0.0 110.087 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.247 0.925 0 CA-C-N 113.448 -1.706 . . . . 0.0 108.353 -178.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 C--N 1.318 -0.443 0 CA-C-N 114.061 -1.427 . . . . 0.0 110.193 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 124.823 0.955 . . . . 0.0 110.033 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 1.008 0 CA-C-N 114.342 -1.299 . . . . 0.0 109.38 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.484 1.271 0 O-C-N 124.561 1.163 . . . . 0.0 110.21 178.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 CA--C 1.501 -0.832 0 N-CA-C 119.095 2.398 . . . . 0.0 119.095 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.848 0 O-C-N 120.891 -1.358 . . . . 0.0 109.1 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 107.068 -1.456 . . . . 0.0 107.068 178.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.264 1.864 0 O-C-N 125.701 1.875 . . . . 0.0 110.262 179.143 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.34 0.59 . . . . 0.0 111.879 -179.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 115.737 -2.078 . . . . 0.0 108.792 -177.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.263 2.852 . . . . 0.0 110.388 178.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 117.665 -1.159 . . . . 0.0 109.622 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 O-C-N 128.187 3.43 . . . . 0.0 112.823 -177.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.262 0 O-C-N 125.121 1.513 . . . . 0.0 111.764 -178.105 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 123.872 0.869 . . . . 0.0 110.206 178.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.942 0 N-CA-C 118.03 2.604 . . . . 0.0 118.03 175.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.311 -1.077 0 C-N-CA 124.11 0.964 . . . . 0.0 109.086 177.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 127.453 2.971 . . . . 0.0 111.374 -177.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.378 0 C-N-CA 129.948 3.299 . . . . 0.0 108.971 178.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.966 0 O-C-N 126.804 2.565 . . . . 0.0 113.778 -178.135 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 115.261 1.578 . . . . 0.0 115.261 -178.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 124.726 1.266 . . . . 0.0 109.932 178.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.406 0 C-N-CA 123.968 0.907 . . . . 0.0 109.207 179.007 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.315 -0.898 0 C-N-CA 123.496 0.718 . . . . 0.0 112.731 -178.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-O 117.035 -1.46 . . . . 0.0 111.025 -177.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 CA-C-O 116.787 -1.577 . . . . 0.0 110.724 -176.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.176 0 CA-C-N 119.551 1.068 . . . . 0.0 112.81 -178.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 124.956 1.302 . . . . 0.0 111.685 -178.496 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 125.033 1.458 . . . . 0.0 108.283 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 126.52 2.387 . . . . 0.0 111.627 -178.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.249 1.034 0 C-N-CA 120.216 -0.593 . . . . 0.0 110.485 177.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 -177.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 125.651 1.58 . . . . 0.0 111.269 177.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.466 0.692 0 O-C-N 121.314 -0.866 . . . . 0.0 114.21 -179.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 119.8 -1.812 . . . . 0.0 109.664 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 116.352 1.982 . . . . 0.0 116.352 -176.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 125.27 1.606 . . . . 0.0 110.303 -176.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 112.534 -2.121 . . . . 0.0 108.32 175.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 N-CA-C 104.531 -2.396 . . . . 0.0 104.531 178.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 125.401 1.688 . . . . 0.0 108.31 -177.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.302 -1.32 0 O-C-N 125.926 2.016 . . . . 0.0 110.959 -175.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.425 0 O-C-N 126.25 2.71 . . . . 0.0 115.087 -176.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.257 1.49 0 O-C-N 120.423 -1.423 . . . . 0.0 113.834 177.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.356 0 N-CA-C 115.617 1.71 . . . . 0.0 115.617 -176.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.264 1.83 0 CA-C-O 115.095 -2.383 . . . . 0.0 112.744 -178.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.647 0 CA-C-N 120.935 1.698 . . . . 0.0 114.816 -178.012 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.311 -1.072 0 C-N-CA 127.109 2.163 . . . . 0.0 111.164 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 O-C-N 126.206 2.191 . . . . 0.0 110.44 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 125.36 1.464 . . . . 0.0 107.062 177.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.729 0 C-N-CA 126.579 1.952 . . . . 0.0 112.599 179.008 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.145 0 CA-C-N 113.185 -1.825 . . . . 0.0 111.456 -177.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.148 0 C-N-CA 123.828 0.851 . . . . 0.0 113.196 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 N-CA-C 104.117 -2.549 . . . . 0.0 104.117 177.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 104.833 -2.284 . . . . 0.0 104.833 178.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 128.459 3.599 . . . . 0.0 116.957 -175.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.323 0 N-CA-C 105.329 -3.108 . . . . 0.0 105.329 177.078 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.273 2.313 0 O-C-N 128.487 3.11 . . . . 0.0 106.504 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.82 0 C-N-CA 118.914 -1.115 . . . . 0.0 112.678 -177.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.765 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 177.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.837 0 CA-C-O 122.458 1.123 . . . . 0.0 108.059 176.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.304 0 C-N-CA 121.486 1.458 . . . . 0.0 111.879 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 177.051 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 105.32 -2.104 . . . . 0.0 105.32 177.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 122.812 1.291 . . . . 0.0 110.121 -176.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.191 0 CA-C-N 112.649 -2.069 . . . . 0.0 112.723 178.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.23 0 CA-C-N 118.214 1.007 . . . . 0.0 110.752 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.453 -0.895 0 O-C-N 123.486 1.256 . . . . 0.0 111.615 177.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 103.139 -2.911 . . . . 0.0 103.139 178.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.306 -1.313 0 O-C-N 126.868 2.605 . . . . 0.0 112.233 -178.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.44 -1.64 0 N-CA-C 107.55 -1.75 . . . . 0.0 107.55 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.29 -1.981 0 O-C-N 128.162 3.414 . . . . 0.0 103.042 179.472 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.975 0 CA-C-O 116.006 -1.949 . . . . 0.0 108.836 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.806 0 N-CA-C 104.054 -3.619 . . . . 0.0 104.054 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.531 0 CA-C-O 115.677 -2.106 . . . . 0.0 109.487 -178.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.569 1.708 0 N-CA-C 103.685 -2.709 . . . . 0.0 103.685 -178.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.077 0 O-C-N 127.712 3.132 . . . . 0.0 113.535 -178.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 106.38 -1.711 . . . . 0.0 106.38 -177.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.501 2.972 0 O-C-N 126.281 2.238 . . . . 0.0 107.614 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 118.927 -2.513 . . . . 0.0 110.271 -177.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--N 1.305 -1.336 0 N-CA-C 100.618 -3.845 . . . . 0.0 100.618 -172.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.445 -1.341 0 CA-C-O 115.185 -2.089 . . . . 0.0 112.062 178.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.841 0 CA-C-N 120.71 1.596 . . . . 0.0 109.543 177.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.274 2.393 0 CA-C-N 112.839 -1.982 . . . . 0.0 110.576 178.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.432 -1.343 0 O-C-N 120.951 -1.093 . . . . 0.0 110.435 178.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.556 1.194 0 O-C-N 125.818 1.949 . . . . 0.0 110.26 -178.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.067 0 O-C-N 127.079 2.737 . . . . 0.0 107.058 178.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.618 0 CA-C-O 122.204 1.002 . . . . 0.0 112.908 177.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.898 0 O-C-N 117.469 -3.269 . . . . 0.0 114.586 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.571 1.777 0 O-C-N 125.638 1.836 . . . . 0.0 108.161 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.568 1 O-C-N 129.196 4.06 . . . . 0.0 109.734 179.225 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 120.032 -1.668 . . . . 0.0 111.857 179.116 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 125.078 1.351 . . . . 0.0 112.742 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.29 -2.006 0 C-N-CA 128.024 2.726 . . . . 0.0 114.326 -177.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.273 2.318 0 C-N-CA 128.251 2.62 . . . . 0.0 111.524 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 C-N-CA 117.612 -1.635 . . . . 0.0 107.38 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.095 0 CA-C-O 117.283 -1.341 . . . . 0.0 109.034 -179.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.319 0 C-N-CA 122.868 2.378 . . . . 0.0 111.784 178.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.022 0 O-C-N 118.668 -2.52 . . . . 0.0 115.678 -178.743 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.313 -1.007 0 C-N-CA 126.649 1.98 . . . . 0.0 110.903 178.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.958 0 C-N-CA 123.417 2.745 . . . . 0.0 115.47 178.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.71 0 CA-C-N 121.326 1.875 . . . . 0.0 113.453 178.032 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 124.981 1.312 . . . . 0.0 108.018 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.843 0 C-N-CA 119.055 -1.058 . . . . 0.0 109.748 179.115 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.54 -0.725 . . . . 0.0 109.272 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 114.24 -1.345 . . . . 0.0 109.718 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-N 119.608 1.095 . . . . 0.0 111.959 -177.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 117.058 -1.448 . . . . 0.0 111.861 -178.024 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 115.023 1.49 . . . . 0.0 115.023 -178.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.459 0 CA-C-N 114.548 -1.205 . . . . 0.0 109.17 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-O 124.883 2.278 . . . . 0.0 109.461 178.29 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.024 0 CA-C-N 112.71 -2.041 . . . . 0.0 111.316 178.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-N 121.091 1.769 . . . . 0.0 112.769 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.322 0 CA-C-O 118.435 -0.793 . . . . 0.0 112.29 -176.335 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 O-C-N 124.091 0.869 . . . . 0.0 109.075 -179.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-O 115.204 -2.331 . . . . 0.0 110.87 -178.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.213 0 O-C-N 127.585 3.053 . . . . 0.0 111.013 178.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.769 0 C-N-CA 127.378 2.271 . . . . 0.0 113.765 -177.116 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 126.04 2.088 . . . . 0.0 112.171 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.253 1.321 0 CA-C-N 121.286 1.857 . . . . 0.0 114.818 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.578 0 C-N-CA 124.836 1.254 . . . . 0.0 111.43 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 178.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 178.234 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 O-C-N 124.788 1.305 . . . . 0.0 110.036 -178.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 113.646 -1.615 . . . . 0.0 111.048 178.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 127.122 2.169 . . . . 0.0 112.529 -178.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 113.708 -1.587 . . . . 0.0 112.002 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.241 0.647 0 CA-C-O 116.776 -1.583 . . . . 0.0 111.654 -178.294 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 126.493 2.371 . . . . 0.0 107.55 178.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.437 -1.078 0 C-N-CA 126.367 1.867 . . . . 0.0 113.181 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.078 -0.965 . . . . 0.0 109.628 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.308 -1.203 0 O-C-N 124.448 1.093 . . . . 0.0 108.239 178.141 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.141 179.013 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.545 0 N-CA-C 115.907 1.817 . . . . 0.0 115.907 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 O-C-N 124.534 1.146 . . . . 0.0 111.108 -177.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.309 -1.158 0 O-C-N 125.512 1.758 . . . . 0.0 111.356 -178.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.032 0 C-N-CA 127.269 2.228 . . . . 0.0 107.44 179.171 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 500' ' ' MXT . . . . . 0.77 H231 ' O11' ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 600' ' ' MXT . . . . . 0.753 H231 ' O12' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.516 ' HB3' H122 ' A' ' 500' ' ' MXT . 20.3 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.3 0 O-C-N 125.664 1.852 . . . . 0.0 106.874 169.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.767 1 O-C-N 129.191 4.258 . . . . 0.0 107.997 -175.469 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.939 0 CA-C-N 121.069 1.758 . . . . 0.0 112.612 -178.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.502 2.161 0 CA-C-N 114.281 -1.327 . . . . 0.0 110.902 -177.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.179 0 C-N-CA 126.965 2.106 . . . . 0.0 110.233 -177.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.256 1.445 0 O-C-N 120.864 -1.147 . . . . 0.0 109.782 179.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.604 0 N-CA-C 105.945 -1.872 . . . . 0.0 105.945 -177.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 127.154 2.784 . . . . 0.0 107.838 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.782 0 CA-C-O 115.442 -2.218 . . . . 0.0 106.398 178.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 C--N 1.277 -2.547 1 O-C-N 130.671 4.982 . . . . 0.0 106.263 178.454 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.166 0 CA-C-O 113.75 -3.024 . . . . 0.0 105.843 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-N 121.089 1.768 . . . . 0.0 110.027 -177.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 125.924 2.015 . . . . 0.0 105.826 -176.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.254 1.339 0 O-C-N 127.517 3.011 . . . . 0.0 112.758 -176.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.961 0 O-C-N 127.222 2.826 . . . . 0.0 112.276 177.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 122.152 2.251 . . . . 0.0 111.963 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--O 1.225 -0.223 0 O-C-N 126.571 2.419 . . . . 0.0 109.719 -174.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.73 0 C-N-CA 124.652 3.568 . . . . 0.0 111.956 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.869 0 CA-C-N 111.756 -2.474 . . . . 0.0 106.739 179.143 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.264 0 O-C-N 127.519 3.379 . . . . 0.0 107.914 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.538 0 CA-C-O 116.11 -1.704 . . . . 0.0 108.36 178.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.61 0 O-C-N 127.065 2.728 . . . . 0.0 112.175 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.995 0 C-N-CA 126.769 2.028 . . . . 0.0 114.95 -174.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.57 1.726 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 175.023 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.3 0 O-C-N 124.929 1.393 . . . . 0.0 113.629 -175.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.429 0 CA-C-O 117.391 -1.29 . . . . 0.0 112.765 -179.401 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.315 0 CA-C-N 121.772 2.078 . . . . 0.0 114.976 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.311 -1.444 0 C-N-CA 122.2 1.933 . . . . 0.0 113.341 178.095 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.87 0 C-N-CA 129.756 3.222 . . . . 0.0 112.271 178.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.048 0 O-C-N 119.42 -2.05 . . . . 0.0 109.49 177.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.329 0 CA-C-O 115.587 -2.149 . . . . 0.0 109.255 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 127.434 2.959 . . . . 0.0 109.392 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.253 1.243 0 O-C-N 120.279 -1.513 . . . . 0.0 112.866 177.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 122.083 0.944 . . . . 0.0 113.367 179.078 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.245 0 C-N-CA 126.446 1.899 . . . . 0.0 109.242 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.785 0 O-C-N 125.128 1.518 . . . . 0.0 110.232 175.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.162 0 C-N-CA 127.063 2.145 . . . . 0.0 114.622 178.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.014 0 CA-C-O 117.147 -1.918 . . . . 0.0 112.373 178.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.42 0 CA-C-N 118.11 0.955 . . . . 0.0 108.502 179.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 176.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.953 0 C-N-CA 123.948 0.899 . . . . 0.0 112.862 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.473 0 N-CA-C 114.986 1.476 . . . . 0.0 114.986 -175.562 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.31 -1.128 0 C-N-CA 125.056 1.342 . . . . 0.0 108.141 175.069 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 177.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.952 0 CA-C-N 114.327 -1.306 . . . . 0.0 110.054 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-O 115.962 -1.97 . . . . 0.0 112.32 178.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.577 0 C-N-CA 126.904 2.082 . . . . 0.0 116.556 -174.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.591 0 CA-C-O 122.734 1.254 . . . . 0.0 112.277 -178.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 122.355 2.037 . . . . 0.0 115.084 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 177.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.415 0 N-CA-C 115.187 1.551 . . . . 0.0 115.187 178.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.106 0 O-C-N 118.37 -2.707 . . . . 0.0 114.623 -179.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.325 0 N-CA-C 116.012 1.856 . . . . 0.0 116.012 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.049 0 CA-C-N 120.267 1.131 . . . . 0.0 114.906 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.288 1.035 . . . . 0.0 112.026 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 O-C-N 125.09 1.494 . . . . 0.0 111.464 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.255 1.346 0 N-CA-C 116.934 2.198 . . . . 0.0 116.934 179.113 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 127.673 2.389 . . . . 0.0 115.513 -178.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.85 0 N-CA-C 117.098 2.259 . . . . 0.0 117.098 -178.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.482 -2.031 0 CA-C-O 115.709 -2.717 . . . . 0.0 118.851 177.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.954 0 CA-C-N 124.161 3.981 . . . . 0.0 111.363 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-O 115.624 -2.131 . . . . 0.0 106.28 177.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.302 -1.483 0 O-C-N 125.524 1.765 . . . . 0.0 107.649 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.491 0 O-C-N 125.811 1.945 . . . . 0.0 111.506 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-O 122.048 0.927 . . . . 0.0 110.728 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.054 0 N-CA-C 106.746 -1.576 . . . . 0.0 106.746 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 1.993 0 O-C-N 126.01 2.068 . . . . 0.0 116.185 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.79 0 CA-C-O 117.884 -1.055 . . . . 0.0 112.578 -178.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 1.977 0 N-CA-C 107.803 -2.119 . . . . 0.0 107.803 -178.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 125.395 2.521 . . . . 0.0 112.655 -177.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.867 0 CA-C-N 110.889 -2.869 . . . . 0.0 110.417 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.314 -0.966 0 O-C-N 126.341 2.276 . . . . 0.0 105.409 176.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.365 0 N-CA-C 117.74 2.496 . . . . 0.0 117.74 -176.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 178.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 103.865 -2.643 . . . . 0.0 103.865 177.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 CA-C-N 111.981 -2.372 . . . . 0.0 108.017 -179.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.298 0 N-CA-C 118.579 2.192 . . . . 0.0 118.579 -178.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.7 0 O-C-N 121.458 -1.025 . . . . 0.0 112.207 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.673 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 -177.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.861 0 CA-C-O 124.233 1.968 . . . . 0.0 110.033 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.245 0.864 0 CA-C-N 113.438 -1.71 . . . . 0.0 108.398 -178.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 C--N 1.318 -0.424 0 CA-C-N 114.041 -1.436 . . . . 0.0 110.239 179.267 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 124.822 0.954 . . . . 0.0 110.014 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.997 0 CA-C-N 114.417 -1.265 . . . . 0.0 109.348 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.484 1.231 0 O-C-N 124.561 1.163 . . . . 0.0 110.229 178.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 CA--C 1.501 -0.828 0 N-CA-C 119.058 2.383 . . . . 0.0 119.058 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.212 -0.869 0 O-C-N 120.84 -1.388 . . . . 0.0 109.105 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 107.068 -1.456 . . . . 0.0 107.068 178.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.914 0 O-C-N 125.668 1.855 . . . . 0.0 110.252 179.118 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.279 0.562 . . . . 0.0 111.867 -179.149 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 115.802 -2.047 . . . . 0.0 108.806 -177.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.293 -1.869 0 O-C-N 127.205 2.816 . . . . 0.0 110.337 178.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-O 117.611 -1.185 . . . . 0.0 109.589 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 O-C-N 128.16 3.413 . . . . 0.0 112.84 -177.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.276 0 O-C-N 125.098 1.499 . . . . 0.0 111.676 -178.027 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 123.906 0.882 . . . . 0.0 110.235 178.217 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 118.032 2.605 . . . . 0.0 118.032 175.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.054 0 C-N-CA 124.093 0.957 . . . . 0.0 109.076 177.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 127.447 2.967 . . . . 0.0 111.318 -177.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 129.95 3.3 . . . . 0.0 109.001 178.286 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.922 0 O-C-N 126.751 2.532 . . . . 0.0 113.746 -178.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 115.23 1.567 . . . . 0.0 115.23 -178.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 124.728 1.267 . . . . 0.0 109.949 178.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 124.051 0.94 . . . . 0.0 109.208 179.005 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.883 0 C-N-CA 123.492 0.717 . . . . 0.0 112.741 -178.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-O 117.031 -1.461 . . . . 0.0 110.982 -177.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.64 0 CA-C-O 116.773 -1.584 . . . . 0.0 110.698 -176.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.136 0 CA-C-N 119.56 1.073 . . . . 0.0 112.846 -178.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 124.971 1.309 . . . . 0.0 111.693 -178.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 125.027 1.455 . . . . 0.0 108.325 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 126.568 2.418 . . . . 0.0 111.594 -178.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.008 0 C-N-CA 120.189 -0.604 . . . . 0.0 110.481 177.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 114.322 1.23 . . . . 0.0 114.322 -177.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.519 0 C-N-CA 125.634 1.573 . . . . 0.0 111.259 177.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 C--O 1.243 0.68 0 O-C-N 121.275 -0.891 . . . . 0.0 114.257 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.51 -0.596 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 119.817 -1.802 . . . . 0.0 109.673 -179.365 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.899 0 N-CA-C 116.317 1.969 . . . . 0.0 116.317 -176.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 125.308 1.63 . . . . 0.0 110.328 -176.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 112.556 -2.111 . . . . 0.0 108.282 176.042 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 N-CA-C 104.507 -2.405 . . . . 0.0 104.507 178.438 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 125.4 1.687 . . . . 0.0 108.268 -177.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 N--CA 1.475 1.26 0 O-C-N 125.886 1.991 . . . . 0.0 110.971 -175.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.466 0 O-C-N 126.311 2.743 . . . . 0.0 115.017 -176.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.525 0 O-C-N 120.418 -1.426 . . . . 0.0 113.821 177.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.256 1.397 0 N-CA-C 115.585 1.698 . . . . 0.0 115.585 -176.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.264 1.816 0 CA-C-O 115.062 -2.399 . . . . 0.0 112.752 -178.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.617 0 CA-C-N 120.923 1.692 . . . . 0.0 114.824 -177.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.311 -1.066 0 C-N-CA 127.034 2.134 . . . . 0.0 111.198 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 O-C-N 126.252 2.22 . . . . 0.0 110.435 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 125.384 1.474 . . . . 0.0 107.032 177.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.746 0 C-N-CA 126.597 1.959 . . . . 0.0 112.551 179.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.159 0 CA-C-N 113.191 -1.822 . . . . 0.0 111.41 -177.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.309 -1.159 0 C-N-CA 123.777 0.831 . . . . 0.0 113.185 -179.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 104.135 -2.542 . . . . 0.0 104.135 177.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 104.854 -2.276 . . . . 0.0 104.854 178.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 128.483 3.614 . . . . 0.0 116.989 -175.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.584 4.36 0 N-CA-C 105.305 -3.118 . . . . 0.0 105.305 177.098 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.37 0 O-C-N 128.493 3.114 . . . . 0.0 106.53 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.244 0.795 0 C-N-CA 118.949 -1.1 . . . . 0.0 112.687 -177.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.763 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 177.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.244 0.805 0 CA-C-O 122.436 1.112 . . . . 0.0 108.133 176.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.266 0 C-N-CA 121.484 1.456 . . . . 0.0 111.888 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.978 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 176.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 105.329 -2.1 . . . . 0.0 105.329 177.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 122.786 1.279 . . . . 0.0 110.111 -176.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.25 1.131 0 CA-C-N 112.655 -2.066 . . . . 0.0 112.739 179.108 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.211 0 CA-C-N 118.161 0.98 . . . . 0.0 110.71 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.453 -0.882 0 O-C-N 123.529 1.278 . . . . 0.0 111.64 176.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 103.141 -2.911 . . . . 0.0 103.141 178.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.306 -1.31 0 O-C-N 126.894 2.621 . . . . 0.0 112.242 -178.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.713 0 N-CA-C 107.578 -1.739 . . . . 0.0 107.578 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.954 0 O-C-N 128.163 3.414 . . . . 0.0 102.98 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.99 0 CA-C-O 115.982 -1.961 . . . . 0.0 108.827 179.074 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.544 1.876 0 N-CA-C 104.069 -3.612 . . . . 0.0 104.069 -178.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.507 0 CA-C-O 115.689 -2.101 . . . . 0.0 109.492 -177.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.569 1.705 0 N-CA-C 103.681 -2.711 . . . . 0.0 103.681 -179.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.074 0 O-C-N 127.694 3.121 . . . . 0.0 113.549 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 106.372 -1.714 . . . . 0.0 106.372 -177.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.501 2.986 0 O-C-N 126.227 2.205 . . . . 0.0 107.593 -179.289 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.222 -2.34 . . . . 0.0 110.271 -177.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.332 0 O-C-N 116.464 -3.897 . . . . 0.0 100.595 177.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.308 0 CA-C-O 115.213 -2.078 . . . . 0.0 112.041 -178.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.829 0 CA-C-N 120.769 1.622 . . . . 0.0 109.552 177.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.435 0 CA-C-N 112.824 -1.989 . . . . 0.0 110.624 178.309 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.291 0 O-C-N 120.905 -1.122 . . . . 0.0 110.434 178.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.162 0 O-C-N 125.862 1.976 . . . . 0.0 110.232 -178.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.102 0 O-C-N 127.018 2.698 . . . . 0.0 107.039 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.484 -1.579 0 CA-C-O 122.159 0.98 . . . . 0.0 112.942 177.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.442 -0.86 0 O-C-N 117.532 -3.23 . . . . 0.0 114.567 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.571 1.784 0 O-C-N 125.626 1.829 . . . . 0.0 108.178 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.299 -1.594 1 O-C-N 129.23 4.081 . . . . 0.0 109.772 179.161 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 120.065 -1.647 . . . . 0.0 111.853 179.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.504 0 C-N-CA 125.091 1.356 . . . . 0.0 112.775 178.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.028 0 C-N-CA 128.011 2.72 . . . . 0.0 114.31 -179.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.273 2.301 0 C-N-CA 128.345 2.658 . . . . 0.0 111.472 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 C-N-CA 117.617 -1.633 . . . . 0.0 107.36 178.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.103 0 CA-C-O 117.245 -1.36 . . . . 0.0 108.974 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.323 0 C-N-CA 122.869 2.38 . . . . 0.0 111.762 178.047 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.014 0 O-C-N 118.645 -2.534 . . . . 0.0 115.706 -177.348 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.032 0 C-N-CA 126.645 1.978 . . . . 0.0 110.915 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.925 0 C-N-CA 123.353 2.702 . . . . 0.0 115.496 -178.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 121.325 1.875 . . . . 0.0 113.443 177.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 124.966 1.307 . . . . 0.0 108.03 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.246 0.883 0 C-N-CA 119.018 -1.073 . . . . 0.0 109.739 179.119 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.601 -0.687 . . . . 0.0 109.341 179.034 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 114.235 -1.348 . . . . 0.0 109.749 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-N 119.551 1.069 . . . . 0.0 111.929 -177.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-O 117.113 -1.422 . . . . 0.0 111.857 -178.002 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 115.027 1.491 . . . . 0.0 115.027 -178.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.492 0 CA-C-N 114.59 -1.186 . . . . 0.0 109.182 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-O 124.907 2.289 . . . . 0.0 109.423 178.312 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.497 -1.062 0 CA-C-N 112.67 -2.059 . . . . 0.0 111.324 178.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-N 121.16 1.8 . . . . 0.0 112.763 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.325 0 CA-C-O 118.446 -0.787 . . . . 0.0 112.291 -176.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 O-C-N 124.102 0.876 . . . . 0.0 109.092 -179.312 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-O 115.215 -2.326 . . . . 0.0 110.86 -178.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.209 0 O-C-N 127.598 3.061 . . . . 0.0 111.022 179.041 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.768 0 C-N-CA 127.376 2.27 . . . . 0.0 113.788 -177.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 125.999 2.062 . . . . 0.0 112.163 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.253 1.338 0 CA-C-N 121.363 1.892 . . . . 0.0 114.789 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.573 0 C-N-CA 124.794 1.238 . . . . 0.0 111.389 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 107.125 -1.435 . . . . 0.0 107.125 178.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.237 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 178.257 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 O-C-N 124.855 1.347 . . . . 0.0 110.043 -178.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.36 0 CA-C-N 113.641 -1.618 . . . . 0.0 111.046 178.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.3 -1.558 0 C-N-CA 127.139 2.176 . . . . 0.0 112.5 -178.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 113.714 -1.585 . . . . 0.0 111.943 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.674 0 CA-C-O 116.756 -1.592 . . . . 0.0 111.684 -178.284 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 126.519 2.387 . . . . 0.0 107.527 178.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.049 0 C-N-CA 126.412 1.885 . . . . 0.0 113.202 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.637 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.192 0 O-C-N 124.449 1.093 . . . . 0.0 108.227 178.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-O 116.553 -1.689 . . . . 0.0 112.098 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.535 0 N-CA-C 115.869 1.803 . . . . 0.0 115.869 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 O-C-N 124.47 1.106 . . . . 0.0 111.092 -177.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.149 0 O-C-N 125.413 1.696 . . . . 0.0 111.38 -178.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.045 0 C-N-CA 127.305 2.242 . . . . 0.0 107.42 179.132 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 500' ' ' MXT . . . . . 0.88 H231 ' O11' ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 600' ' ' MXT . . . . . 0.558 ' O11' H231 ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.403 ' C ' H262 ' A' ' 500' ' ' MXT . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.827 ' C ' H121 ' A' ' 500' ' ' MXT . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 1.198 ' N ' H122 ' A' ' 500' ' ' MXT . 18.7 m -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 1.112 ' N ' H121 ' A' ' 500' ' ' MXT . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.304 0 O-C-N 125.664 1.852 . . . . 0.0 106.857 167.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.748 1 O-C-N 129.159 4.241 . . . . 0.0 107.956 -174.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.941 0 CA-C-N 121.03 1.741 . . . . 0.0 112.654 -177.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.212 0 CA-C-N 114.255 -1.338 . . . . 0.0 110.903 -177.073 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.18 0 C-N-CA 126.949 2.099 . . . . 0.0 110.206 -177.046 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.458 0 O-C-N 120.899 -1.126 . . . . 0.0 109.831 178.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.573 0 N-CA-C 105.923 -1.88 . . . . 0.0 105.923 -177.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 127.156 2.785 . . . . 0.0 107.842 178.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.572 1.801 0 CA-C-O 115.376 -2.249 . . . . 0.0 106.472 179.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 C--N 1.277 -2.563 1 O-C-N 130.756 5.035 . . . . 0.0 106.327 176.142 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.124 0 CA-C-O 113.77 -3.014 . . . . 0.0 105.851 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.452 0 CA-C-N 121.153 1.797 . . . . 0.0 110.023 -177.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 125.901 2.0 . . . . 0.0 105.783 -176.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.356 0 O-C-N 127.482 2.989 . . . . 0.0 112.782 -176.345 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.267 2.016 0 O-C-N 127.213 2.82 . . . . 0.0 112.241 177.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 122.186 2.266 . . . . 0.0 111.933 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--O 1.224 -0.252 0 O-C-N 126.625 2.453 . . . . 0.0 109.71 -174.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.732 0 C-N-CA 124.643 3.562 . . . . 0.0 111.984 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.828 0 CA-C-N 111.709 -2.496 . . . . 0.0 106.753 179.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.313 -1.291 0 O-C-N 127.525 3.382 . . . . 0.0 107.913 178.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.524 0 C-N-CA 121.839 1.692 . . . . 0.0 108.281 178.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.579 0 O-C-N 127.075 2.734 . . . . 0.0 112.141 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.291 -1.967 0 C-N-CA 126.782 2.033 . . . . 0.0 114.9 -174.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.693 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 175.016 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.289 0 O-C-N 124.878 1.362 . . . . 0.0 113.676 -175.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.446 0 CA-C-O 117.412 -1.28 . . . . 0.0 112.763 -179.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.253 1.271 0 CA-C-N 121.766 2.076 . . . . 0.0 114.948 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.161 1.907 . . . . 0.0 113.34 178.073 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.907 0 C-N-CA 129.763 3.225 . . . . 0.0 112.288 178.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.056 0 O-C-N 119.418 -2.051 . . . . 0.0 109.518 177.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.559 1.317 0 CA-C-O 115.645 -2.122 . . . . 0.0 109.272 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 127.341 2.901 . . . . 0.0 109.343 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.253 1.253 0 O-C-N 120.332 -1.48 . . . . 0.0 112.893 177.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-O 122.025 0.917 . . . . 0.0 113.315 179.066 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.252 0 C-N-CA 126.508 1.923 . . . . 0.0 109.251 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 125.067 1.479 . . . . 0.0 110.254 175.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.172 0 C-N-CA 127.069 2.148 . . . . 0.0 114.602 178.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.002 0 CA-C-O 117.087 -1.952 . . . . 0.0 112.369 178.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 118.149 0.975 . . . . 0.0 108.498 179.284 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 176.013 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.958 0 C-N-CA 123.926 0.89 . . . . 0.0 112.824 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.485 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 -175.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.093 0 C-N-CA 125.058 1.343 . . . . 0.0 108.114 175.084 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 177.258 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.933 0 CA-C-N 114.33 -1.305 . . . . 0.0 110.103 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-O 116.052 -1.928 . . . . 0.0 112.362 178.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.278 -2.542 0 C-N-CA 126.87 2.068 . . . . 0.0 116.554 -174.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.581 0 CA-C-O 122.717 1.246 . . . . 0.0 112.279 -178.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 122.4 2.066 . . . . 0.0 115.116 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 177.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.414 0 N-CA-C 115.193 1.553 . . . . 0.0 115.193 178.33 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.497 -1.095 0 O-C-N 118.297 -2.752 . . . . 0.0 114.643 -179.079 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.327 0 N-CA-C 115.943 1.831 . . . . 0.0 115.943 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.06 0 CA-C-N 120.261 1.129 . . . . 0.0 114.889 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.294 1.038 . . . . 0.0 112.01 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 O-C-N 125.129 1.518 . . . . 0.0 111.484 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.319 0 N-CA-C 116.904 2.187 . . . . 0.0 116.904 179.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 127.659 2.384 . . . . 0.0 115.578 -178.033 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.246 0.897 0 N-CA-C 117.133 2.271 . . . . 0.0 117.133 -178.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.066 0 CA-C-O 115.663 -2.743 . . . . 0.0 118.839 177.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.29 -1.974 1 CA-C-N 124.217 4.008 . . . . 0.0 111.358 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.483 1.201 0 CA-C-O 115.675 -2.107 . . . . 0.0 106.245 177.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.302 -1.484 0 O-C-N 125.492 1.745 . . . . 0.0 107.618 -178.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.256 1.442 0 O-C-N 125.805 1.941 . . . . 0.0 111.476 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-O 122.104 0.954 . . . . 0.0 110.697 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.056 0 N-CA-C 106.744 -1.576 . . . . 0.0 106.744 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 1.987 0 O-C-N 126.014 2.072 . . . . 0.0 116.231 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.791 0 CA-C-O 117.895 -1.05 . . . . 0.0 112.58 -178.244 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 2.015 0 N-CA-C 107.797 -2.121 . . . . 0.0 107.797 -178.39 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 125.34 2.495 . . . . 0.0 112.658 -177.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.846 0 CA-C-N 110.915 -2.857 . . . . 0.0 110.429 179.193 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -1.0 0 O-C-N 126.409 2.318 . . . . 0.0 105.357 176.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.407 0 N-CA-C 117.811 2.522 . . . . 0.0 117.811 -176.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 178.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 103.82 -2.659 . . . . 0.0 103.82 177.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 CA-C-N 112.028 -2.351 . . . . 0.0 108.022 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.254 1.355 0 N-CA-C 118.516 2.166 . . . . 0.0 118.516 -178.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.678 0 O-C-N 121.483 -1.01 . . . . 0.0 112.226 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.623 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -177.204 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-O 124.259 1.98 . . . . 0.0 110.038 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.245 0.851 0 CA-C-N 113.443 -1.708 . . . . 0.0 108.381 -178.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 C--O 1.239 0.446 0 CA-C-N 114.048 -1.433 . . . . 0.0 110.177 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 124.798 0.94 . . . . 0.0 110.042 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.247 0.96 0 CA-C-N 114.359 -1.291 . . . . 0.0 109.36 179.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.221 0 O-C-N 124.587 1.179 . . . . 0.0 110.201 178.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.833 0 N-CA-C 119.069 2.388 . . . . 0.0 119.069 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.214 -0.815 0 O-C-N 120.876 -1.367 . . . . 0.0 109.098 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.308 0 N-CA-C 107.063 -1.458 . . . . 0.0 107.063 178.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.904 0 O-C-N 125.665 1.853 . . . . 0.0 110.279 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.332 0.587 . . . . 0.0 111.878 -179.203 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 115.733 -2.08 . . . . 0.0 108.834 -177.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.293 -1.888 0 O-C-N 127.274 2.859 . . . . 0.0 110.396 178.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 117.688 -1.149 . . . . 0.0 109.585 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 O-C-N 128.11 3.381 . . . . 0.0 112.835 -177.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.287 0 O-C-N 125.171 1.544 . . . . 0.0 111.669 -178.027 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 123.89 0.876 . . . . 0.0 110.207 178.246 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.961 0 N-CA-C 118.046 2.61 . . . . 0.0 118.046 175.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.311 -1.071 0 C-N-CA 124.029 0.932 . . . . 0.0 109.123 177.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 127.366 2.916 . . . . 0.0 111.393 -177.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.385 0 C-N-CA 130.005 3.322 . . . . 0.0 109.009 178.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.246 0.917 0 O-C-N 126.802 2.564 . . . . 0.0 113.744 -178.094 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 115.246 1.573 . . . . 0.0 115.246 -178.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 124.791 1.307 . . . . 0.0 109.962 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 124.019 0.927 . . . . 0.0 109.21 179.02 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.887 0 C-N-CA 123.503 0.721 . . . . 0.0 112.701 -178.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-O 116.997 -1.478 . . . . 0.0 110.98 -177.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.62 0 CA-C-O 116.812 -1.566 . . . . 0.0 110.671 -176.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.175 0 CA-C-N 119.555 1.071 . . . . 0.0 112.844 -178.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 124.909 1.284 . . . . 0.0 111.721 -178.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 124.997 1.436 . . . . 0.0 108.239 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 126.576 2.422 . . . . 0.0 111.627 -178.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.014 0 C-N-CA 120.151 -0.62 . . . . 0.0 110.525 177.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 -177.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.524 0 C-N-CA 125.691 1.597 . . . . 0.0 111.232 177.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 C--O 1.243 0.678 0 O-C-N 121.315 -0.865 . . . . 0.0 114.275 -179.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.615 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 119.803 -1.81 . . . . 0.0 109.669 -179.383 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 116.351 1.982 . . . . 0.0 116.351 -176.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 125.254 1.596 . . . . 0.0 110.29 -176.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 112.518 -2.128 . . . . 0.0 108.343 176.051 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 N-CA-C 104.503 -2.406 . . . . 0.0 104.503 178.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 125.39 1.681 . . . . 0.0 108.227 -177.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.304 -1.233 0 O-C-N 125.844 1.965 . . . . 0.0 110.97 -175.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.47 0 O-C-N 126.315 2.745 . . . . 0.0 115.063 -176.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.55 0 O-C-N 120.378 -1.451 . . . . 0.0 113.81 177.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.37 0 N-CA-C 115.607 1.706 . . . . 0.0 115.607 -176.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--N 1.294 -1.815 0 CA-C-O 115.068 -2.396 . . . . 0.0 112.844 -178.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.649 0 CA-C-N 120.9 1.682 . . . . 0.0 114.885 -178.061 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.052 0 C-N-CA 127.012 2.125 . . . . 0.0 111.231 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 O-C-N 126.255 2.222 . . . . 0.0 110.475 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 125.383 1.473 . . . . 0.0 107.06 177.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.752 0 C-N-CA 126.54 1.936 . . . . 0.0 112.596 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.252 1.201 0 CA-C-N 113.23 -1.804 . . . . 0.0 111.429 -177.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.309 -1.189 0 C-N-CA 123.855 0.862 . . . . 0.0 113.139 -179.105 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 104.19 -2.522 . . . . 0.0 104.19 177.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 104.846 -2.279 . . . . 0.0 104.846 178.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 128.56 3.662 . . . . 0.0 117.003 -175.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.584 4.366 0 N-CA-C 105.343 -3.103 . . . . 0.0 105.343 177.04 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.273 2.341 0 O-C-N 128.525 3.133 . . . . 0.0 106.513 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.836 0 C-N-CA 118.924 -1.111 . . . . 0.0 112.727 -177.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 177.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.817 0 CA-C-O 122.46 1.124 . . . . 0.0 108.079 176.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.447 -1.264 0 C-N-CA 121.441 1.428 . . . . 0.0 111.893 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 177.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 105.35 -2.093 . . . . 0.0 105.35 177.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 122.809 1.29 . . . . 0.0 110.089 -176.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.25 1.152 0 CA-C-N 112.673 -2.058 . . . . 0.0 112.799 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.228 0 CA-C-N 118.139 0.97 . . . . 0.0 110.763 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.918 0 O-C-N 123.52 1.274 . . . . 0.0 111.608 177.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.553 1.071 0 N-CA-C 103.127 -2.916 . . . . 0.0 103.127 178.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.336 0 O-C-N 126.909 2.63 . . . . 0.0 112.234 -178.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.714 0 N-CA-C 107.542 -1.753 . . . . 0.0 107.542 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.968 0 O-C-N 128.096 3.373 . . . . 0.0 102.983 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.994 0 CA-C-O 116.007 -1.949 . . . . 0.0 108.843 178.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.803 0 N-CA-C 104.107 -3.597 . . . . 0.0 104.107 179.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.523 0 CA-C-O 115.695 -2.097 . . . . 0.0 109.475 -177.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.716 0 N-CA-C 103.71 -2.7 . . . . 0.0 103.71 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.074 0 O-C-N 127.753 3.158 . . . . 0.0 113.506 -178.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 106.337 -1.727 . . . . 0.0 106.337 -177.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.501 2.974 0 O-C-N 126.342 2.276 . . . . 0.0 107.605 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 118.941 -2.505 . . . . 0.0 110.271 -177.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.311 0 N-CA-C 100.652 -3.832 . . . . 0.0 100.652 -175.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.445 -1.339 0 CA-C-O 115.277 -2.051 . . . . 0.0 112.091 178.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.272 -2.804 0 CA-C-N 120.7 1.591 . . . . 0.0 109.588 177.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.41 0 CA-C-N 112.87 -1.968 . . . . 0.0 110.614 178.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.29 0 O-C-N 120.94 -1.1 . . . . 0.0 110.432 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.166 0 O-C-N 125.761 1.913 . . . . 0.0 110.272 -178.358 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.101 0 O-C-N 127.068 2.73 . . . . 0.0 107.03 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.598 0 CA-C-O 122.207 1.003 . . . . 0.0 112.935 177.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.89 0 O-C-N 117.467 -3.27 . . . . 0.0 114.568 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.793 0 O-C-N 125.56 1.787 . . . . 0.0 108.146 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.577 1 O-C-N 129.228 4.08 . . . . 0.0 109.786 179.176 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 120.061 -1.649 . . . . 0.0 111.871 179.051 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.51 0 C-N-CA 125.103 1.361 . . . . 0.0 112.766 178.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.036 0 C-N-CA 128.019 2.723 . . . . 0.0 114.309 -179.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.276 0 C-N-CA 128.259 2.623 . . . . 0.0 111.52 -178.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 C-N-CA 117.561 -1.656 . . . . 0.0 107.401 179.156 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.104 0 CA-C-O 117.312 -1.327 . . . . 0.0 108.987 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.314 -1.287 0 C-N-CA 122.891 2.394 . . . . 0.0 111.74 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.021 0 O-C-N 118.682 -2.511 . . . . 0.0 115.713 -179.694 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.041 0 C-N-CA 126.61 1.964 . . . . 0.0 110.908 177.237 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.949 0 C-N-CA 123.419 2.746 . . . . 0.0 115.523 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-N 121.272 1.851 . . . . 0.0 113.477 177.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 124.948 1.299 . . . . 0.0 108.037 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.246 0.889 0 C-N-CA 119.078 -1.049 . . . . 0.0 109.763 179.116 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.557 -0.714 . . . . 0.0 109.319 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 C--O 1.244 0.765 0 CA-C-N 114.246 -1.343 . . . . 0.0 109.745 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-N 119.595 1.089 . . . . 0.0 111.937 -178.003 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-O 117.071 -1.442 . . . . 0.0 111.845 -178.032 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 115.062 1.504 . . . . 0.0 115.062 -178.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.478 0 CA-C-N 114.594 -1.185 . . . . 0.0 109.156 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-O 124.927 2.298 . . . . 0.0 109.48 178.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.499 -1.008 0 CA-C-N 112.689 -2.05 . . . . 0.0 111.268 178.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.745 0 CA-C-N 121.131 1.787 . . . . 0.0 112.741 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.302 0 CA-C-O 118.442 -0.79 . . . . 0.0 112.301 -176.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 O-C-N 124.044 0.84 . . . . 0.0 109.133 -179.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-O 115.194 -2.336 . . . . 0.0 110.871 -178.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.202 0 O-C-N 127.575 3.047 . . . . 0.0 111.046 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.778 0 C-N-CA 127.397 2.279 . . . . 0.0 113.742 -177.146 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 126.022 2.076 . . . . 0.0 112.212 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.255 1.435 0 CA-C-N 121.286 1.857 . . . . 0.0 114.781 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.591 0 C-N-CA 124.801 1.241 . . . . 0.0 111.432 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 107.146 -1.428 . . . . 0.0 107.146 178.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.226 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 178.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.94 0 O-C-N 124.831 1.332 . . . . 0.0 110.028 -178.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-N 113.672 -1.604 . . . . 0.0 111.045 178.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 127.166 2.186 . . . . 0.0 112.517 -178.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 113.732 -1.576 . . . . 0.0 111.972 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-O 116.776 -1.583 . . . . 0.0 111.696 -178.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 126.52 2.388 . . . . 0.0 107.516 178.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 C--N 1.312 -1.042 0 C-N-CA 126.411 1.884 . . . . 0.0 113.153 179.233 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.114 -0.948 . . . . 0.0 109.628 -179.191 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.166 0 O-C-N 124.46 1.1 . . . . 0.0 108.228 178.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 116.55 -1.69 . . . . 0.0 112.106 179.065 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.506 0 N-CA-C 115.914 1.82 . . . . 0.0 115.914 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 O-C-N 124.494 1.121 . . . . 0.0 111.111 -177.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.119 0 O-C-N 125.477 1.735 . . . . 0.0 111.376 -178.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.069 0 C-N-CA 127.235 2.214 . . . . 0.0 107.438 179.135 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 500' ' ' MXT . . . . . 1.198 H122 ' N ' ' A' ' 41' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 600' ' ' MXT . . . . . 0.641 H231 ' O12' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.721 ' O ' ' O11' ' A' ' 500' ' ' MXT . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 1.227 ' CA ' H122 ' A' ' 500' ' ' MXT . 25.8 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.895 ' H ' H121 ' A' ' 500' ' ' MXT . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.323 0 O-C-N 125.664 1.852 . . . . 0.0 106.827 169.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.745 1 O-C-N 129.188 4.257 . . . . 0.0 107.939 -175.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.919 0 CA-C-N 121.02 1.737 . . . . 0.0 112.632 -178.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.188 0 CA-C-N 114.25 -1.341 . . . . 0.0 110.93 -178.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 C-N-CA 126.99 2.116 . . . . 0.0 110.227 -177.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.256 1.44 0 O-C-N 120.889 -1.132 . . . . 0.0 109.826 179.112 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.597 0 N-CA-C 105.94 -1.874 . . . . 0.0 105.94 -177.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 127.177 2.798 . . . . 0.0 107.869 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.57 1.748 0 CA-C-O 115.505 -2.188 . . . . 0.0 106.424 178.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.538 1 O-C-N 130.639 4.962 . . . . 0.0 106.346 177.586 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.146 0 CA-C-O 113.745 -3.026 . . . . 0.0 105.869 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-N 121.144 1.793 . . . . 0.0 110.042 -177.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.785 0 O-C-N 125.877 1.985 . . . . 0.0 105.787 -176.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.254 1.33 0 O-C-N 127.512 3.008 . . . . 0.0 112.736 -176.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.955 0 O-C-N 127.23 2.831 . . . . 0.0 112.206 177.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 122.163 2.256 . . . . 0.0 111.924 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--O 1.225 -0.204 0 O-C-N 126.651 2.47 . . . . 0.0 109.711 -174.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.736 0 C-N-CA 124.635 3.556 . . . . 0.0 111.928 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.477 0.876 0 CA-C-N 111.729 -2.487 . . . . 0.0 106.725 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.315 -1.236 0 O-C-N 127.466 3.35 . . . . 0.0 107.873 178.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.519 0 CA-C-O 116.16 -1.683 . . . . 0.0 108.31 178.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.596 0 O-C-N 127.078 2.736 . . . . 0.0 112.143 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.983 0 C-N-CA 126.717 2.007 . . . . 0.0 114.904 -174.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.57 1.739 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 175.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 124.965 1.416 . . . . 0.0 113.634 -175.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.429 0 CA-C-O 117.427 -1.273 . . . . 0.0 112.759 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.255 1.347 0 CA-C-N 121.776 2.08 . . . . 0.0 114.924 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.309 -1.507 0 C-N-CA 122.21 1.94 . . . . 0.0 113.298 178.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.293 -1.877 0 C-N-CA 129.788 3.235 . . . . 0.0 112.262 178.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.051 0 O-C-N 119.445 -2.035 . . . . 0.0 109.493 177.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.334 0 CA-C-O 115.592 -2.147 . . . . 0.0 109.244 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 127.396 2.935 . . . . 0.0 109.424 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.253 1.261 0 O-C-N 120.263 -1.523 . . . . 0.0 112.895 177.145 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 122.033 0.921 . . . . 0.0 113.322 179.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.268 0 C-N-CA 126.531 1.932 . . . . 0.0 109.27 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 125.088 1.492 . . . . 0.0 110.274 175.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.271 2.187 0 C-N-CA 127.066 2.146 . . . . 0.0 114.59 178.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.031 0 CA-C-O 117.068 -1.962 . . . . 0.0 112.339 178.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-N 118.177 0.988 . . . . 0.0 108.482 179.311 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 107.243 -1.392 . . . . 0.0 107.243 176.03 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.924 0 C-N-CA 123.917 0.887 . . . . 0.0 112.828 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.481 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 -175.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.073 0 C-N-CA 125.06 1.344 . . . . 0.0 108.08 175.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 177.245 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.967 0 CA-C-N 114.273 -1.331 . . . . 0.0 110.113 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-O 115.997 -1.954 . . . . 0.0 112.326 178.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.561 0 N-CA-C 116.609 2.077 . . . . 0.0 116.609 -174.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.599 0 CA-C-O 122.7 1.238 . . . . 0.0 112.304 -178.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 122.355 2.037 . . . . 0.0 115.148 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 177.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.431 0 N-CA-C 115.189 1.552 . . . . 0.0 115.189 178.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.104 0 O-C-N 118.342 -2.724 . . . . 0.0 114.618 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.299 0 N-CA-C 115.941 1.83 . . . . 0.0 115.941 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.043 0 CA-C-N 120.338 1.156 . . . . 0.0 114.818 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.28 1.032 . . . . 0.0 112.038 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 O-C-N 125.095 1.497 . . . . 0.0 111.506 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.334 0 N-CA-C 116.918 2.192 . . . . 0.0 116.918 179.127 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 127.668 2.387 . . . . 0.0 115.583 -178.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.863 0 N-CA-C 117.102 2.26 . . . . 0.0 117.102 -178.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.482 -2.006 0 CA-C-O 115.638 -2.757 . . . . 0.0 118.846 177.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.29 -1.994 0 CA-C-N 124.192 3.996 . . . . 0.0 111.374 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-O 115.631 -2.128 . . . . 0.0 106.274 177.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.522 0 O-C-N 125.529 1.768 . . . . 0.0 107.648 -178.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.494 0 O-C-N 125.764 1.915 . . . . 0.0 111.521 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-O 122.106 0.955 . . . . 0.0 110.694 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.051 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.266 1.974 0 O-C-N 126.034 2.084 . . . . 0.0 116.175 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.783 0 CA-C-O 117.927 -1.035 . . . . 0.0 112.576 -178.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 1.983 0 N-CA-C 107.791 -2.124 . . . . 0.0 107.791 -178.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 125.39 2.519 . . . . 0.0 112.667 -177.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.831 0 CA-C-N 110.858 -2.883 . . . . 0.0 110.444 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -1.002 0 O-C-N 126.385 2.303 . . . . 0.0 105.442 176.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.383 0 N-CA-C 117.799 2.518 . . . . 0.0 117.799 -176.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 178.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 103.832 -2.655 . . . . 0.0 103.832 177.073 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 CA-C-N 111.986 -2.37 . . . . 0.0 108.02 -179.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.283 0 N-CA-C 118.598 2.199 . . . . 0.0 118.598 -178.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.706 0 O-C-N 121.462 -1.022 . . . . 0.0 112.245 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.647 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -177.192 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.831 0 CA-C-O 124.265 1.983 . . . . 0.0 110.022 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.912 0 CA-C-N 113.412 -1.722 . . . . 0.0 108.382 -178.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.463 0.457 0 CA-C-N 114.043 -1.435 . . . . 0.0 110.208 179.266 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 124.859 0.976 . . . . 0.0 110.044 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.987 0 CA-C-N 114.33 -1.305 . . . . 0.0 109.372 179.288 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.194 0 O-C-N 124.572 1.17 . . . . 0.0 110.215 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 CA--C 1.501 -0.828 0 N-CA-C 119.059 2.383 . . . . 0.0 119.059 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.214 -0.813 0 O-C-N 120.835 -1.391 . . . . 0.0 109.083 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 178.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.266 1.923 0 O-C-N 125.674 1.859 . . . . 0.0 110.239 179.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.312 0.577 . . . . 0.0 111.897 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 115.791 -2.052 . . . . 0.0 108.833 -177.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.293 -1.871 0 O-C-N 127.205 2.816 . . . . 0.0 110.374 178.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 117.658 -1.163 . . . . 0.0 109.55 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 O-C-N 128.154 3.409 . . . . 0.0 112.824 -177.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.267 0 O-C-N 125.086 1.491 . . . . 0.0 111.719 -178.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 123.92 0.888 . . . . 0.0 110.184 178.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.944 0 N-CA-C 118.037 2.606 . . . . 0.0 118.037 175.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.028 0 C-N-CA 124.062 0.945 . . . . 0.0 109.089 177.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 127.361 2.913 . . . . 0.0 111.387 -177.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.396 0 C-N-CA 129.995 3.318 . . . . 0.0 108.969 178.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.246 0.902 0 O-C-N 126.752 2.533 . . . . 0.0 113.787 -178.112 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 115.309 1.596 . . . . 0.0 115.309 -178.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 124.681 1.238 . . . . 0.0 109.974 178.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.391 0 C-N-CA 124.015 0.926 . . . . 0.0 109.199 179.042 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.315 -0.895 0 C-N-CA 123.475 0.71 . . . . 0.0 112.69 -178.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-O 116.985 -1.483 . . . . 0.0 110.995 -177.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 CA-C-O 116.751 -1.595 . . . . 0.0 110.676 -176.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.148 0 CA-C-N 119.56 1.073 . . . . 0.0 112.84 -178.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 124.943 1.297 . . . . 0.0 111.674 -178.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 124.984 1.427 . . . . 0.0 108.321 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 126.555 2.409 . . . . 0.0 111.639 -178.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.021 0 C-N-CA 120.154 -0.619 . . . . 0.0 110.553 177.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -177.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.504 0 C-N-CA 125.654 1.581 . . . . 0.0 111.305 177.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 C--O 1.242 0.652 0 O-C-N 121.274 -0.891 . . . . 0.0 114.291 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.608 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 119.815 -1.803 . . . . 0.0 109.629 -179.321 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 116.335 1.976 . . . . 0.0 116.335 -176.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 125.266 1.604 . . . . 0.0 110.326 -176.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 112.543 -2.117 . . . . 0.0 108.306 176.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 N-CA-C 104.503 -2.406 . . . . 0.0 104.503 178.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 125.409 1.693 . . . . 0.0 108.273 -177.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.276 0 O-C-N 125.892 1.995 . . . . 0.0 110.961 -175.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.448 0 O-C-N 126.319 2.747 . . . . 0.0 115.079 -176.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.543 0 O-C-N 120.385 -1.447 . . . . 0.0 113.815 177.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.256 1.407 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 -176.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--N 1.295 -1.794 0 CA-C-O 115.124 -2.37 . . . . 0.0 112.77 -178.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.636 0 CA-C-N 120.911 1.687 . . . . 0.0 114.861 -178.01 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.311 -1.083 0 C-N-CA 127.041 2.137 . . . . 0.0 111.174 -179.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 O-C-N 126.235 2.21 . . . . 0.0 110.465 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 125.345 1.458 . . . . 0.0 107.081 177.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.74 0 C-N-CA 126.536 1.934 . . . . 0.0 112.6 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.161 0 CA-C-N 113.248 -1.797 . . . . 0.0 111.449 -177.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.309 -1.161 0 C-N-CA 123.826 0.851 . . . . 0.0 113.127 -179.111 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 104.165 -2.532 . . . . 0.0 104.165 177.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 104.819 -2.289 . . . . 0.0 104.819 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 128.468 3.605 . . . . 0.0 116.968 -175.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.584 4.347 0 N-CA-C 105.27 -3.132 . . . . 0.0 105.27 177.106 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.273 2.306 0 O-C-N 128.482 3.107 . . . . 0.0 106.536 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.82 0 C-N-CA 118.914 -1.114 . . . . 0.0 112.697 -177.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.756 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 177.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.244 0.787 0 CA-C-O 122.531 1.158 . . . . 0.0 108.04 176.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.312 0 C-N-CA 121.459 1.439 . . . . 0.0 111.875 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 177.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 105.374 -2.084 . . . . 0.0 105.374 177.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 122.806 1.289 . . . . 0.0 110.158 -176.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.159 0 CA-C-N 112.65 -2.068 . . . . 0.0 112.775 178.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.223 0 CA-C-N 118.16 0.98 . . . . 0.0 110.761 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.451 -0.979 0 O-C-N 123.463 1.244 . . . . 0.0 111.699 177.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 103.16 -2.904 . . . . 0.0 103.16 178.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.348 0 O-C-N 126.869 2.606 . . . . 0.0 112.228 -178.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.705 0 N-CA-C 107.593 -1.734 . . . . 0.0 107.593 -179.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.939 0 O-C-N 128.085 3.366 . . . . 0.0 103.024 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.266 1.963 0 CA-C-O 115.997 -1.954 . . . . 0.0 108.822 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.544 1.852 0 N-CA-C 104.121 -3.592 . . . . 0.0 104.121 -179.346 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.526 0 CA-C-O 115.671 -2.109 . . . . 0.0 109.465 -177.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.732 0 N-CA-C 103.658 -2.719 . . . . 0.0 103.658 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.498 -1.055 0 O-C-N 127.744 3.153 . . . . 0.0 113.551 -178.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 -178.108 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.501 2.973 0 O-C-N 126.279 2.237 . . . . 0.0 107.647 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.23 -2.335 . . . . 0.0 110.271 -177.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.311 0 N-CA-C 100.629 -3.841 . . . . 0.0 100.629 -176.068 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.323 0 CA-C-O 115.268 -2.055 . . . . 0.0 112.125 178.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.272 -2.78 0 CA-C-N 120.692 1.587 . . . . 0.0 109.6 177.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.274 2.387 0 CA-C-N 112.859 -1.973 . . . . 0.0 110.634 178.276 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.432 -1.34 0 O-C-N 120.928 -1.107 . . . . 0.0 110.429 178.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.163 0 O-C-N 125.833 1.958 . . . . 0.0 110.234 -178.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.287 -2.115 0 O-C-N 127.023 2.702 . . . . 0.0 107.028 178.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.629 0 CA-C-O 122.279 1.038 . . . . 0.0 112.937 177.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.901 0 O-C-N 117.414 -3.304 . . . . 0.0 114.576 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.571 1.777 0 O-C-N 125.651 1.844 . . . . 0.0 108.187 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.299 -1.59 1 O-C-N 129.216 4.072 . . . . 0.0 109.752 179.166 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 120.027 -1.671 . . . . 0.0 111.797 179.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.3 -1.551 0 C-N-CA 125.11 1.364 . . . . 0.0 112.758 178.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.046 0 C-N-CA 127.976 2.703 . . . . 0.0 114.306 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.258 0 C-N-CA 128.259 2.624 . . . . 0.0 111.454 -178.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 C-N-CA 117.605 -1.638 . . . . 0.0 107.365 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.094 0 CA-C-O 117.288 -1.339 . . . . 0.0 109.029 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.326 0 C-N-CA 122.897 2.398 . . . . 0.0 111.768 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.249 1.037 0 O-C-N 118.639 -2.538 . . . . 0.0 115.723 -177.564 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.058 0 C-N-CA 126.658 1.983 . . . . 0.0 110.88 -178.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.938 0 C-N-CA 123.45 2.767 . . . . 0.0 115.514 175.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-N 121.262 1.846 . . . . 0.0 113.466 178.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 124.973 1.309 . . . . 0.0 107.994 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.838 0 C-N-CA 119.106 -1.038 . . . . 0.0 109.702 179.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.559 -0.713 . . . . 0.0 109.313 179.144 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 114.245 -1.343 . . . . 0.0 109.71 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 119.607 1.094 . . . . 0.0 111.943 -177.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-O 117.056 -1.449 . . . . 0.0 111.913 -178.078 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 115.072 1.508 . . . . 0.0 115.072 -178.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.467 0 CA-C-N 114.543 -1.208 . . . . 0.0 109.165 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-O 124.863 2.268 . . . . 0.0 109.461 178.263 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.499 -1.015 0 CA-C-N 112.676 -2.057 . . . . 0.0 111.316 178.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.733 0 CA-C-N 121.089 1.768 . . . . 0.0 112.749 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.294 0 CA-C-O 118.507 -0.758 . . . . 0.0 112.33 -176.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 O-C-N 124.029 0.831 . . . . 0.0 109.097 -179.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-O 115.243 -2.313 . . . . 0.0 110.916 -178.148 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.204 0 O-C-N 127.565 3.041 . . . . 0.0 111.038 178.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.767 0 C-N-CA 127.38 2.272 . . . . 0.0 113.758 -177.142 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 125.96 2.038 . . . . 0.0 112.173 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.351 0 CA-C-N 121.337 1.88 . . . . 0.0 114.851 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.26 1.611 0 C-N-CA 124.769 1.228 . . . . 0.0 111.413 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 107.189 -1.412 . . . . 0.0 107.189 178.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 178.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 O-C-N 124.832 1.333 . . . . 0.0 110.044 -178.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 113.623 -1.626 . . . . 0.0 111.003 178.359 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 127.159 2.184 . . . . 0.0 112.507 -178.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 113.676 -1.602 . . . . 0.0 111.978 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-O 116.724 -1.607 . . . . 0.0 111.642 -178.266 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 126.528 2.392 . . . . 0.0 107.597 178.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.057 0 C-N-CA 126.351 1.861 . . . . 0.0 113.174 179.208 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.665 -179.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.161 0 O-C-N 124.458 1.099 . . . . 0.0 108.213 178.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 116.567 -1.682 . . . . 0.0 112.072 179.101 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.516 0 N-CA-C 115.922 1.823 . . . . 0.0 115.922 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 O-C-N 124.489 1.118 . . . . 0.0 111.137 -177.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.134 0 O-C-N 125.475 1.734 . . . . 0.0 111.356 -178.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.069 0 C-N-CA 127.235 2.214 . . . . 0.0 107.45 179.092 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 500' ' ' MXT . . . . . 1.227 H122 ' CA ' ' A' ' 41' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 600' ' ' MXT . . . . . 0.852 H231 ' O11' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.61 ' HA ' H121 ' A' ' 500' ' ' MXT . 27.8 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.722 ' H ' H121 ' A' ' 500' ' ' MXT . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.506 2.327 0 O-C-N 125.664 1.852 . . . . 0.0 106.847 167.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.75 1 O-C-N 129.21 4.268 . . . . 0.0 107.977 -170.481 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.917 0 CA-C-N 121.001 1.728 . . . . 0.0 112.646 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.502 2.172 0 CA-C-N 114.264 -1.335 . . . . 0.0 110.938 178.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.213 0 C-N-CA 126.994 2.118 . . . . 0.0 110.276 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.256 1.429 0 O-C-N 120.871 -1.143 . . . . 0.0 109.86 -174.579 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.585 0 N-CA-C 105.929 -1.878 . . . . 0.0 105.929 -178.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 127.126 2.766 . . . . 0.0 107.844 -178.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.776 0 CA-C-O 115.485 -2.198 . . . . 0.0 106.403 -178.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.527 1 O-C-N 130.642 4.963 . . . . 0.0 106.303 177.533 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.148 0 CA-C-O 113.741 -3.028 . . . . 0.0 105.891 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 121.167 1.803 . . . . 0.0 110.048 -177.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 125.885 1.991 . . . . 0.0 105.812 -176.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.254 1.334 0 O-C-N 127.477 2.986 . . . . 0.0 112.812 -176.362 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.94 0 O-C-N 127.221 2.826 . . . . 0.0 112.271 177.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.921 0 O-C-N 119.076 -2.265 . . . . 0.0 111.897 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.332 -0.178 0 O-C-N 126.649 2.468 . . . . 0.0 109.692 -174.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--O 1.242 0.681 0 C-N-CA 124.659 3.573 . . . . 0.0 111.94 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.832 0 CA-C-N 111.743 -2.48 . . . . 0.0 106.758 179.123 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.249 0 O-C-N 127.53 3.384 . . . . 0.0 107.924 179.005 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.523 0 O-C-N 124.302 1.686 . . . . 0.0 108.317 178.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.622 0 O-C-N 127.043 2.714 . . . . 0.0 112.192 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -2.017 0 C-N-CA 126.766 2.026 . . . . 0.0 114.913 -174.436 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.568 1.668 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 175.019 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 124.907 1.38 . . . . 0.0 113.637 -175.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.257 1.465 0 CA-C-O 117.404 -1.284 . . . . 0.0 112.734 -179.379 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.253 1.281 0 CA-C-N 121.779 2.081 . . . . 0.0 114.988 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.454 0 C-N-CA 122.148 1.899 . . . . 0.0 113.311 178.107 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.292 -1.901 0 C-N-CA 129.82 3.248 . . . . 0.0 112.271 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.313 -1.017 0 O-C-N 119.404 -2.06 . . . . 0.0 109.532 177.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.348 0 CA-C-O 115.571 -2.157 . . . . 0.0 109.23 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 127.389 2.931 . . . . 0.0 109.395 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.253 1.275 0 O-C-N 120.273 -1.517 . . . . 0.0 112.846 177.186 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-O 122.057 0.932 . . . . 0.0 113.345 179.045 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.252 0 C-N-CA 126.505 1.922 . . . . 0.0 109.252 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 125.11 1.506 . . . . 0.0 110.228 175.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.167 0 C-N-CA 127.125 2.17 . . . . 0.0 114.586 178.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.547 2.059 0 CA-C-O 117.082 -1.955 . . . . 0.0 112.37 178.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-N 118.098 0.949 . . . . 0.0 108.502 179.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 175.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.943 0 C-N-CA 123.977 0.911 . . . . 0.0 112.839 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.258 1.507 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 -175.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.31 -1.114 0 C-N-CA 125.028 1.331 . . . . 0.0 108.07 175.103 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.869 0 O-C-N 124.517 1.136 . . . . 0.0 107.946 177.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.964 0 CA-C-N 114.303 -1.317 . . . . 0.0 110.156 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-O 115.974 -1.965 . . . . 0.0 112.302 178.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.585 0 N-CA-C 116.588 2.07 . . . . 0.0 116.588 -174.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.592 0 CA-C-O 122.784 1.278 . . . . 0.0 112.256 -178.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.448 -1.206 0 C-N-CA 122.399 2.066 . . . . 0.0 115.091 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 177.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.429 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 178.328 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.497 -1.088 0 O-C-N 118.333 -2.73 . . . . 0.0 114.662 -179.065 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.331 0 N-CA-C 115.961 1.838 . . . . 0.0 115.961 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.039 0 CA-C-N 120.299 1.143 . . . . 0.0 114.877 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.315 1.046 . . . . 0.0 112.053 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 O-C-N 125.093 1.495 . . . . 0.0 111.511 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.335 0 N-CA-C 116.913 2.19 . . . . 0.0 116.913 179.068 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 127.669 2.387 . . . . 0.0 115.555 -178.087 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.84 0 N-CA-C 117.122 2.267 . . . . 0.0 117.122 -178.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.07 0 CA-C-O 115.663 -2.743 . . . . 0.0 118.831 177.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.29 -1.991 1 CA-C-N 124.204 4.002 . . . . 0.0 111.382 179.711 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-O 115.635 -2.126 . . . . 0.0 106.276 177.526 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.302 -1.499 0 O-C-N 125.534 1.771 . . . . 0.0 107.635 -178.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.456 0 O-C-N 125.783 1.927 . . . . 0.0 111.475 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-O 122.078 0.942 . . . . 0.0 110.7 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.055 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.266 1.96 0 O-C-N 126.078 2.111 . . . . 0.0 116.215 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.262 1.762 0 CA-C-O 117.945 -1.026 . . . . 0.0 112.596 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 1.998 0 N-CA-C 107.799 -2.121 . . . . 0.0 107.799 -178.392 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 125.377 2.513 . . . . 0.0 112.634 -177.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-N 110.893 -2.867 . . . . 0.0 110.423 179.22 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -0.999 0 O-C-N 126.386 2.304 . . . . 0.0 105.458 176.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.39 0 N-CA-C 117.805 2.52 . . . . 0.0 117.805 -176.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.306 -1.319 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 178.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 103.84 -2.652 . . . . 0.0 103.84 177.028 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 CA-C-N 112.074 -2.33 . . . . 0.0 108.02 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.343 0 N-CA-C 118.562 2.185 . . . . 0.0 118.562 -178.25 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.679 0 CA-C-N 118.204 1.002 . . . . 0.0 112.224 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.649 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -177.155 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.495 1.824 0 CA-C-O 124.243 1.973 . . . . 0.0 110.062 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-N 113.423 -1.717 . . . . 0.0 108.365 -178.355 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.463 0.471 0 CA-C-N 114.032 -1.44 . . . . 0.0 110.179 179.299 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 124.797 0.939 . . . . 0.0 110.042 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.998 0 CA-C-N 114.368 -1.287 . . . . 0.0 109.312 179.288 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.191 0 O-C-N 124.508 1.13 . . . . 0.0 110.197 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 CA--C 1.501 -0.814 0 N-CA-C 119.054 2.382 . . . . 0.0 119.054 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.214 -0.793 0 O-C-N 120.87 -1.371 . . . . 0.0 109.057 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.302 0 N-CA-C 107.115 -1.439 . . . . 0.0 107.115 178.607 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.266 1.923 0 O-C-N 125.672 1.857 . . . . 0.0 110.232 179.131 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.341 0.591 . . . . 0.0 111.872 -179.122 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 115.734 -2.079 . . . . 0.0 108.804 -177.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.922 0 O-C-N 127.255 2.847 . . . . 0.0 110.365 178.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 117.704 -1.141 . . . . 0.0 109.562 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 O-C-N 128.119 3.387 . . . . 0.0 112.84 -177.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.278 0 O-C-N 125.093 1.496 . . . . 0.0 111.7 -178.075 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 123.88 0.872 . . . . 0.0 110.183 178.285 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 118.023 2.601 . . . . 0.0 118.023 175.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.036 0 C-N-CA 124.105 0.962 . . . . 0.0 109.11 177.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 127.467 2.98 . . . . 0.0 111.352 -177.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 130.032 3.333 . . . . 0.0 108.937 178.382 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.938 0 O-C-N 126.739 2.524 . . . . 0.0 113.788 -178.151 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 115.281 1.586 . . . . 0.0 115.281 -178.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 124.758 1.286 . . . . 0.0 109.964 178.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.41 0 C-N-CA 123.984 0.914 . . . . 0.0 109.15 179.047 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.877 0 C-N-CA 123.48 0.712 . . . . 0.0 112.688 -178.411 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.221 0 CA-C-O 117.015 -1.469 . . . . 0.0 111.007 -177.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.662 0 CA-C-O 116.791 -1.576 . . . . 0.0 110.669 -176.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.153 0 CA-C-N 119.557 1.071 . . . . 0.0 112.863 -178.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 124.931 1.292 . . . . 0.0 111.681 -178.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 125.058 1.473 . . . . 0.0 108.307 -179.576 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 126.571 2.419 . . . . 0.0 111.618 -178.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.018 0 C-N-CA 120.171 -0.612 . . . . 0.0 110.495 177.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 114.333 1.234 . . . . 0.0 114.333 -177.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 125.623 1.569 . . . . 0.0 111.228 177.39 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.466 0.639 0 O-C-N 121.31 -0.869 . . . . 0.0 114.256 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.621 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.663 0 O-C-N 119.814 -1.803 . . . . 0.0 109.695 -179.355 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 116.338 1.977 . . . . 0.0 116.338 -176.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 125.303 1.627 . . . . 0.0 110.298 -176.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 112.53 -2.123 . . . . 0.0 108.281 176.055 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 N-CA-C 104.535 -2.394 . . . . 0.0 104.535 178.474 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 125.416 1.697 . . . . 0.0 108.274 -177.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.302 -1.318 0 O-C-N 125.924 2.015 . . . . 0.0 110.995 -175.571 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.425 0 O-C-N 126.298 2.736 . . . . 0.0 115.04 -176.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.533 0 O-C-N 120.435 -1.416 . . . . 0.0 113.802 177.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.256 1.399 0 N-CA-C 115.586 1.698 . . . . 0.0 115.586 -176.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.263 1.814 0 CA-C-O 115.146 -2.359 . . . . 0.0 112.829 -178.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.611 0 CA-C-N 120.897 1.681 . . . . 0.0 114.884 -178.053 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 127.01 2.124 . . . . 0.0 111.201 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 O-C-N 126.273 2.233 . . . . 0.0 110.42 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 125.385 1.474 . . . . 0.0 107.023 177.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.739 0 C-N-CA 126.566 1.947 . . . . 0.0 112.606 179.043 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.151 0 CA-C-N 113.182 -1.826 . . . . 0.0 111.49 -177.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.142 0 C-N-CA 123.829 0.852 . . . . 0.0 113.147 -179.11 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 104.171 -2.529 . . . . 0.0 104.171 177.459 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 104.797 -2.297 . . . . 0.0 104.797 178.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 128.522 3.639 . . . . 0.0 117.009 -175.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.338 0 N-CA-C 105.33 -3.108 . . . . 0.0 105.33 177.08 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.273 2.324 0 O-C-N 128.543 3.143 . . . . 0.0 106.457 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.244 0.787 0 C-N-CA 118.906 -1.118 . . . . 0.0 112.661 -177.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.748 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 177.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.244 0.816 0 CA-C-O 122.435 1.112 . . . . 0.0 108.077 176.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.283 0 C-N-CA 121.453 1.436 . . . . 0.0 111.875 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 176.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 105.37 -2.085 . . . . 0.0 105.37 177.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 122.774 1.273 . . . . 0.0 110.102 -176.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.175 0 CA-C-N 112.679 -2.055 . . . . 0.0 112.768 178.342 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.225 0 CA-C-N 118.157 0.979 . . . . 0.0 110.705 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 O-C-N 123.463 1.244 . . . . 0.0 111.646 177.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 103.161 -2.903 . . . . 0.0 103.161 178.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.306 -1.31 0 O-C-N 126.863 2.602 . . . . 0.0 112.222 -178.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.44 -1.641 0 N-CA-C 107.545 -1.752 . . . . 0.0 107.545 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.29 -1.986 0 O-C-N 128.106 3.379 . . . . 0.0 103.008 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.995 0 CA-C-O 115.996 -1.954 . . . . 0.0 108.792 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.833 0 N-CA-C 104.1 -3.6 . . . . 0.0 104.1 -178.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.257 1.499 0 CA-C-O 115.684 -2.103 . . . . 0.0 109.489 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.748 0 N-CA-C 103.71 -2.7 . . . . 0.0 103.71 -176.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.077 0 O-C-N 127.744 3.152 . . . . 0.0 113.538 -178.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 106.356 -1.72 . . . . 0.0 106.356 -177.616 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.955 0 O-C-N 126.277 2.236 . . . . 0.0 107.687 -179.475 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.222 -2.34 . . . . 0.0 110.271 -177.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.317 0 N-CA-C 100.677 -3.823 . . . . 0.0 100.677 -178.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.445 -1.327 0 CA-C-O 115.255 -2.061 . . . . 0.0 112.083 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.812 0 CA-C-N 120.706 1.594 . . . . 0.0 109.574 177.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.274 2.382 0 CA-C-N 112.842 -1.981 . . . . 0.0 110.619 178.314 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.297 0 O-C-N 120.973 -1.08 . . . . 0.0 110.422 178.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.163 0 O-C-N 125.863 1.977 . . . . 0.0 110.287 -178.355 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.089 0 O-C-N 127.037 2.711 . . . . 0.0 107.043 178.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.611 0 CA-C-O 122.202 1.001 . . . . 0.0 112.916 177.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.887 0 O-C-N 117.439 -3.288 . . . . 0.0 114.611 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.571 1.779 0 O-C-N 125.578 1.799 . . . . 0.0 108.175 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.299 -1.591 1 O-C-N 129.203 4.064 . . . . 0.0 109.784 179.185 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 120.007 -1.683 . . . . 0.0 111.849 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.536 0 C-N-CA 125.103 1.361 . . . . 0.0 112.763 178.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.041 0 C-N-CA 127.968 2.699 . . . . 0.0 114.277 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.273 2.306 0 C-N-CA 128.252 2.621 . . . . 0.0 111.472 -178.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 C-N-CA 117.603 -1.639 . . . . 0.0 107.431 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.287 -2.12 0 CA-C-O 117.291 -1.338 . . . . 0.0 109.004 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.311 0 C-N-CA 122.853 2.368 . . . . 0.0 111.756 177.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.249 1.033 0 O-C-N 118.634 -2.541 . . . . 0.0 115.674 -176.006 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.052 0 C-N-CA 126.637 1.975 . . . . 0.0 110.865 176.471 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.945 0 C-N-CA 123.407 2.738 . . . . 0.0 115.478 -179.096 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 121.264 1.847 . . . . 0.0 113.493 178.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 124.915 1.286 . . . . 0.0 108.04 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.844 0 C-N-CA 119.021 -1.072 . . . . 0.0 109.741 179.071 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.588 -0.695 . . . . 0.0 109.306 179.069 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 C--O 1.243 0.741 0 CA-C-N 114.273 -1.33 . . . . 0.0 109.742 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-N 119.552 1.069 . . . . 0.0 111.94 -177.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-O 117.108 -1.425 . . . . 0.0 111.85 -178.019 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 115.0 1.482 . . . . 0.0 115.0 -178.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.258 1.501 0 CA-C-N 114.592 -1.186 . . . . 0.0 109.149 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-O 124.872 2.273 . . . . 0.0 109.396 178.354 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.025 0 CA-C-N 112.723 -2.035 . . . . 0.0 111.292 178.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 121.14 1.791 . . . . 0.0 112.785 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.326 0 CA-C-O 118.441 -0.79 . . . . 0.0 112.266 -176.288 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 O-C-N 124.056 0.847 . . . . 0.0 109.102 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-O 115.196 -2.335 . . . . 0.0 110.908 -178.139 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.238 0 O-C-N 127.601 3.063 . . . . 0.0 111.014 178.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.294 -1.836 0 C-N-CA 127.406 2.282 . . . . 0.0 113.752 -177.158 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 126.0 2.062 . . . . 0.0 112.18 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.404 0 CA-C-N 121.359 1.89 . . . . 0.0 114.824 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.26 1.608 0 C-N-CA 124.805 1.242 . . . . 0.0 111.42 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 107.134 -1.432 . . . . 0.0 107.134 178.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 178.219 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.94 0 O-C-N 124.804 1.315 . . . . 0.0 110.058 -178.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 113.691 -1.595 . . . . 0.0 111.02 178.336 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 127.162 2.185 . . . . 0.0 112.552 -178.604 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 113.696 -1.593 . . . . 0.0 111.962 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-O 116.779 -1.582 . . . . 0.0 111.661 -178.253 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 126.488 2.368 . . . . 0.0 107.556 178.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.033 0 C-N-CA 126.413 1.885 . . . . 0.0 113.107 179.258 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 115.144 -0.935 . . . . 0.0 109.617 -179.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.182 0 O-C-N 124.45 1.094 . . . . 0.0 108.192 178.141 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 116.547 -1.692 . . . . 0.0 112.13 179.059 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.528 0 N-CA-C 115.887 1.81 . . . . 0.0 115.887 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 O-C-N 124.431 1.082 . . . . 0.0 111.099 -177.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.139 0 O-C-N 125.484 1.74 . . . . 0.0 111.338 -178.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.046 0 C-N-CA 127.25 2.22 . . . . 0.0 107.467 179.152 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 500' ' ' MXT . . . . . 0.857 ' O11' H231 ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 600' ' ' MXT . . . . . 0.719 H231 ' O12' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.692 ' C ' H111 ' A' ' 500' ' ' MXT . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 1.366 ' H ' ' C11' ' A' ' 500' ' ' MXT . 28.7 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.506 2.329 0 O-C-N 125.664 1.852 . . . . 0.0 106.823 169.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.745 1 O-C-N 129.183 4.254 . . . . 0.0 107.97 -175.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.893 0 CA-C-N 121.029 1.741 . . . . 0.0 112.625 -178.105 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.502 2.167 0 CA-C-N 114.212 -1.358 . . . . 0.0 110.939 -177.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.177 0 C-N-CA 126.979 2.112 . . . . 0.0 110.247 -177.485 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.256 1.431 0 O-C-N 120.926 -1.109 . . . . 0.0 109.818 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.591 0 N-CA-C 105.95 -1.87 . . . . 0.0 105.95 -177.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 127.162 2.789 . . . . 0.0 107.83 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.769 0 CA-C-O 115.408 -2.234 . . . . 0.0 106.483 178.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.511 2.59 1 O-C-N 130.713 5.008 . . . . 0.0 106.328 177.216 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.166 0 CA-C-O 113.726 -3.035 . . . . 0.0 105.852 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-N 121.101 1.773 . . . . 0.0 110.045 -177.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.798 0 O-C-N 125.883 1.989 . . . . 0.0 105.811 -176.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.358 0 O-C-N 127.505 3.003 . . . . 0.0 112.747 -176.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.971 0 O-C-N 127.216 2.823 . . . . 0.0 112.224 177.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 122.204 2.274 . . . . 0.0 111.878 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.331 -0.206 0 O-C-N 126.644 2.465 . . . . 0.0 109.707 -174.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.713 0 C-N-CA 124.64 3.56 . . . . 0.0 111.95 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.848 0 CA-C-N 111.741 -2.481 . . . . 0.0 106.736 179.151 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.239 0 O-C-N 127.532 3.385 . . . . 0.0 107.942 178.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.548 0 C-N-CA 121.843 1.696 . . . . 0.0 108.329 178.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.576 0 O-C-N 127.08 2.737 . . . . 0.0 112.152 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.988 0 C-N-CA 126.805 2.042 . . . . 0.0 114.96 -174.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.681 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 175.026 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 124.877 1.361 . . . . 0.0 113.655 -175.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.431 0 CA-C-O 117.402 -1.285 . . . . 0.0 112.739 -179.391 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.253 1.289 0 CA-C-N 121.785 2.084 . . . . 0.0 114.96 179.559 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.46 0 C-N-CA 122.157 1.905 . . . . 0.0 113.322 178.086 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.266 1.925 0 C-N-CA 129.81 3.244 . . . . 0.0 112.249 178.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.036 0 O-C-N 119.386 -2.071 . . . . 0.0 109.494 177.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.559 1.31 0 CA-C-O 115.564 -2.16 . . . . 0.0 109.278 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 127.4 2.938 . . . . 0.0 109.381 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.253 1.252 0 O-C-N 120.312 -1.493 . . . . 0.0 112.893 177.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 122.013 0.911 . . . . 0.0 113.328 179.034 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.265 0 C-N-CA 126.488 1.915 . . . . 0.0 109.242 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.778 0 O-C-N 125.169 1.543 . . . . 0.0 110.265 175.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.152 0 C-N-CA 127.047 2.139 . . . . 0.0 114.59 178.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 1.984 0 CA-C-O 117.11 -1.939 . . . . 0.0 112.35 178.445 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-N 118.129 0.964 . . . . 0.0 108.497 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 175.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.955 0 C-N-CA 123.913 0.885 . . . . 0.0 112.899 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.488 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 -175.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.098 0 C-N-CA 125.002 1.321 . . . . 0.0 108.086 175.057 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 177.228 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.935 0 CA-C-N 114.323 -1.308 . . . . 0.0 110.053 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-O 115.972 -1.966 . . . . 0.0 112.283 178.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.57 0 N-CA-C 116.565 2.061 . . . . 0.0 116.565 -174.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.62 0 CA-C-O 122.775 1.274 . . . . 0.0 112.281 -178.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 122.376 2.05 . . . . 0.0 115.134 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 177.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.257 1.449 0 N-CA-C 115.198 1.555 . . . . 0.0 115.198 178.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.118 0 O-C-N 118.315 -2.74 . . . . 0.0 114.673 -179.137 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.324 0 N-CA-C 115.977 1.843 . . . . 0.0 115.977 179.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.056 0 CA-C-N 120.29 1.139 . . . . 0.0 114.802 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.264 1.025 . . . . 0.0 112.064 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 O-C-N 125.109 1.506 . . . . 0.0 111.475 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.255 1.366 0 N-CA-C 116.902 2.186 . . . . 0.0 116.902 179.127 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 127.67 2.388 . . . . 0.0 115.553 -178.045 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.863 0 N-CA-C 117.114 2.264 . . . . 0.0 117.114 -178.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.043 0 CA-C-O 115.681 -2.733 . . . . 0.0 118.856 177.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.96 0 CA-C-N 124.176 3.988 . . . . 0.0 111.371 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-O 115.59 -2.148 . . . . 0.0 106.292 177.493 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.539 0 O-C-N 125.554 1.784 . . . . 0.0 107.628 -178.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.256 1.438 0 O-C-N 125.822 1.951 . . . . 0.0 111.49 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-O 122.055 0.931 . . . . 0.0 110.772 179.425 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.248 1.018 0 N-CA-C 106.758 -1.571 . . . . 0.0 106.758 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.266 1.945 0 O-C-N 126.001 2.063 . . . . 0.0 116.201 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.769 0 CA-C-O 117.944 -1.027 . . . . 0.0 112.594 -178.282 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 1.993 0 N-CA-C 107.766 -2.134 . . . . 0.0 107.766 -178.425 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 125.371 2.51 . . . . 0.0 112.683 -177.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.866 0 CA-C-N 110.911 -2.859 . . . . 0.0 110.413 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -0.989 0 O-C-N 126.36 2.288 . . . . 0.0 105.408 176.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.395 0 N-CA-C 117.802 2.519 . . . . 0.0 117.802 -176.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 178.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 103.846 -2.65 . . . . 0.0 103.846 177.036 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 CA-C-N 112.052 -2.34 . . . . 0.0 108.017 -179.282 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.254 1.346 0 N-CA-C 118.516 2.166 . . . . 0.0 118.516 -178.255 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.243 0.712 0 CA-C-N 118.228 1.014 . . . . 0.0 112.25 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.646 0 N-CA-C 112.632 0.605 . . . . 0.0 112.632 -177.189 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.847 0 CA-C-O 124.225 1.964 . . . . 0.0 110.072 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.879 0 CA-C-N 113.404 -1.726 . . . . 0.0 108.381 -178.363 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.464 0.527 0 CA-C-N 113.983 -1.462 . . . . 0.0 110.18 179.255 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 124.831 0.959 . . . . 0.0 110.015 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.974 0 CA-C-N 114.391 -1.277 . . . . 0.0 109.316 179.324 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.21 0 O-C-N 124.548 1.155 . . . . 0.0 110.152 178.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.31 -0.877 0 N-CA-C 119.05 2.38 . . . . 0.0 119.05 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.214 -0.815 0 O-C-N 120.869 -1.371 . . . . 0.0 109.077 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 178.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.266 1.93 0 O-C-N 125.658 1.849 . . . . 0.0 110.242 179.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.295 0.569 . . . . 0.0 111.871 -179.136 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 115.773 -2.061 . . . . 0.0 108.781 -177.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.293 -1.857 0 O-C-N 127.218 2.824 . . . . 0.0 110.387 178.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 117.666 -1.159 . . . . 0.0 109.58 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 O-C-N 128.154 3.409 . . . . 0.0 112.828 -177.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.252 1.225 0 O-C-N 125.152 1.532 . . . . 0.0 111.772 -178.118 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 123.878 0.871 . . . . 0.0 110.207 178.263 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 118.031 2.604 . . . . 0.0 118.031 175.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.041 0 C-N-CA 124.055 0.942 . . . . 0.0 109.074 177.537 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 127.408 2.943 . . . . 0.0 111.346 -177.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 130.003 3.321 . . . . 0.0 109.022 178.27 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.928 0 O-C-N 126.78 2.55 . . . . 0.0 113.78 -178.145 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 115.245 1.572 . . . . 0.0 115.245 -178.385 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 124.744 1.277 . . . . 0.0 109.9 178.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 123.973 0.909 . . . . 0.0 109.189 178.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.865 0 C-N-CA 123.513 0.725 . . . . 0.0 112.734 -178.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-O 116.976 -1.487 . . . . 0.0 111.008 -177.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 CA-C-O 116.74 -1.6 . . . . 0.0 110.668 -176.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.154 0 CA-C-N 119.567 1.076 . . . . 0.0 112.818 -178.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.431 -1.399 0 C-N-CA 124.928 1.291 . . . . 0.0 111.638 -178.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 124.984 1.428 . . . . 0.0 108.294 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.295 -1.768 0 O-C-N 126.555 2.41 . . . . 0.0 111.594 -178.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.249 1.028 0 C-N-CA 120.179 -0.608 . . . . 0.0 110.522 177.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.732 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 -177.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 125.68 1.592 . . . . 0.0 111.258 177.41 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.466 0.657 0 O-C-N 121.286 -0.884 . . . . 0.0 114.26 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 113.283 0.845 . . . . 0.0 113.283 179.236 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 119.816 -1.803 . . . . 0.0 109.662 -179.388 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 116.383 1.994 . . . . 0.0 116.383 -176.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 125.252 1.595 . . . . 0.0 110.284 -176.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 112.527 -2.124 . . . . 0.0 108.332 176.03 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 N-CA-C 104.501 -2.407 . . . . 0.0 104.501 178.477 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 125.391 1.682 . . . . 0.0 108.289 -177.677 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.287 0 O-C-N 125.945 2.028 . . . . 0.0 110.967 -175.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.474 -2.48 0 O-C-N 126.252 2.711 . . . . 0.0 115.047 -176.525 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.505 0 O-C-N 120.409 -1.432 . . . . 0.0 113.824 177.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.352 0 N-CA-C 115.58 1.696 . . . . 0.0 115.58 -176.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.263 1.807 0 CA-C-O 115.094 -2.384 . . . . 0.0 112.784 -178.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.61 0 CA-C-N 120.895 1.679 . . . . 0.0 114.875 -178.032 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.051 0 C-N-CA 127.018 2.127 . . . . 0.0 111.213 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 O-C-N 126.244 2.215 . . . . 0.0 110.488 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 107.082 -1.451 . . . . 0.0 107.082 177.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.263 1.777 0 C-N-CA 126.547 1.939 . . . . 0.0 112.615 178.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.252 1.2 0 CA-C-N 113.218 -1.81 . . . . 0.0 111.438 -177.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.309 -1.173 0 C-N-CA 123.878 0.871 . . . . 0.0 113.188 -179.104 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 104.147 -2.538 . . . . 0.0 104.147 177.459 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 104.831 -2.285 . . . . 0.0 104.831 178.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 128.526 3.641 . . . . 0.0 117.003 -175.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.337 0 N-CA-C 105.262 -3.135 . . . . 0.0 105.262 177.13 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.273 2.316 0 O-C-N 128.496 3.116 . . . . 0.0 106.545 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.244 0.787 0 C-N-CA 118.904 -1.118 . . . . 0.0 112.66 -177.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.745 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 177.528 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.244 0.797 0 CA-C-O 122.436 1.112 . . . . 0.0 108.067 176.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.285 0 C-N-CA 121.464 1.443 . . . . 0.0 111.864 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 177.022 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 105.355 -2.091 . . . . 0.0 105.355 177.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 122.778 1.275 . . . . 0.0 110.101 -176.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.165 0 CA-C-N 112.696 -2.047 . . . . 0.0 112.769 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.214 0 CA-C-N 118.142 0.971 . . . . 0.0 110.742 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.928 0 O-C-N 123.49 1.258 . . . . 0.0 111.654 176.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.042 0 N-CA-C 103.165 -2.902 . . . . 0.0 103.165 178.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.306 -1.32 0 O-C-N 126.883 2.615 . . . . 0.0 112.22 -178.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.682 0 N-CA-C 107.573 -1.741 . . . . 0.0 107.573 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.939 0 O-C-N 128.045 3.341 . . . . 0.0 103.039 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.266 1.961 0 CA-C-O 115.971 -1.966 . . . . 0.0 108.795 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.838 0 N-CA-C 104.132 -3.587 . . . . 0.0 104.132 -179.179 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.257 1.473 0 CA-C-O 115.723 -2.084 . . . . 0.0 109.468 -177.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.569 1.701 0 N-CA-C 103.737 -2.69 . . . . 0.0 103.737 -179.225 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.061 0 O-C-N 127.68 3.112 . . . . 0.0 113.533 -179.127 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 106.332 -1.729 . . . . 0.0 106.332 -177.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.949 0 O-C-N 126.329 2.268 . . . . 0.0 107.665 -179.462 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 118.966 -2.491 . . . . 0.0 110.271 -177.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.295 0 N-CA-C 100.582 -3.859 . . . . 0.0 100.582 -177.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.445 -1.351 0 CA-C-O 115.21 -2.079 . . . . 0.0 112.077 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.823 0 CA-C-N 120.694 1.588 . . . . 0.0 109.554 177.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.421 0 CA-C-N 112.814 -1.994 . . . . 0.0 110.59 178.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.283 0 O-C-N 120.945 -1.097 . . . . 0.0 110.425 178.548 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.168 0 O-C-N 125.816 1.948 . . . . 0.0 110.236 -178.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.075 0 O-C-N 127.041 2.713 . . . . 0.0 107.056 178.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.599 0 CA-C-O 122.265 1.031 . . . . 0.0 112.97 177.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.903 0 O-C-N 117.426 -3.296 . . . . 0.0 114.575 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.823 0 O-C-N 125.638 1.836 . . . . 0.0 108.172 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.562 1 O-C-N 129.261 4.101 . . . . 0.0 109.774 179.194 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 120.077 -1.639 . . . . 0.0 111.832 179.056 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.513 0 C-N-CA 125.136 1.374 . . . . 0.0 112.814 178.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.03 0 C-N-CA 127.95 2.69 . . . . 0.0 114.324 -178.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.275 0 C-N-CA 128.279 2.632 . . . . 0.0 111.542 -177.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 C-N-CA 117.58 -1.648 . . . . 0.0 107.385 178.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.287 -2.116 0 CA-C-O 117.252 -1.356 . . . . 0.0 109.009 -178.211 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.33 0 C-N-CA 122.852 2.368 . . . . 0.0 111.76 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 0.981 0 O-C-N 118.599 -2.563 . . . . 0.0 115.746 -177.159 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.042 0 C-N-CA 126.566 1.947 . . . . 0.0 110.88 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.939 0 C-N-CA 123.403 2.736 . . . . 0.0 115.442 -178.214 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-N 121.355 1.888 . . . . 0.0 113.418 177.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 124.948 1.299 . . . . 0.0 108.045 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.85 0 C-N-CA 119.064 -1.054 . . . . 0.0 109.728 179.093 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.581 -0.699 . . . . 0.0 109.314 179.094 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 114.222 -1.354 . . . . 0.0 109.706 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-N 119.581 1.082 . . . . 0.0 111.99 -177.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-O 117.072 -1.442 . . . . 0.0 111.845 -178.032 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 115.093 1.516 . . . . 0.0 115.093 -178.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.494 0 CA-C-N 114.541 -1.209 . . . . 0.0 109.163 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-O 124.851 2.262 . . . . 0.0 109.414 178.32 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.03 0 CA-C-N 112.748 -2.023 . . . . 0.0 111.29 178.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-N 121.135 1.788 . . . . 0.0 112.757 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.313 0 CA-C-O 118.464 -0.779 . . . . 0.0 112.257 -176.314 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 O-C-N 124.067 0.854 . . . . 0.0 109.073 -179.267 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-O 115.284 -2.293 . . . . 0.0 110.904 -178.155 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.206 0 O-C-N 127.525 3.016 . . . . 0.0 111.077 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.296 -1.759 0 C-N-CA 127.418 2.287 . . . . 0.0 113.742 -177.145 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 125.962 2.039 . . . . 0.0 112.22 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.384 0 CA-C-N 121.293 1.861 . . . . 0.0 114.825 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.26 1.613 0 C-N-CA 124.781 1.233 . . . . 0.0 111.376 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 107.187 -1.412 . . . . 0.0 107.187 178.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.233 0 N-CA-C 107.308 -1.367 . . . . 0.0 107.308 178.229 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 O-C-N 124.843 1.339 . . . . 0.0 110.036 -178.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-N 113.645 -1.616 . . . . 0.0 111.052 178.376 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 127.113 2.165 . . . . 0.0 112.502 -178.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 113.665 -1.607 . . . . 0.0 111.974 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.658 0 CA-C-O 116.739 -1.601 . . . . 0.0 111.709 -178.332 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 126.56 2.413 . . . . 0.0 107.543 178.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 C--N 1.312 -1.038 0 C-N-CA 126.346 1.858 . . . . 0.0 113.164 179.247 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.639 -179.246 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.308 -1.217 0 O-C-N 124.442 1.089 . . . . 0.0 108.188 178.152 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-O 116.527 -1.701 . . . . 0.0 112.051 179.089 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.535 0 N-CA-C 115.873 1.805 . . . . 0.0 115.873 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 O-C-N 124.488 1.117 . . . . 0.0 111.07 -177.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.126 0 O-C-N 125.432 1.708 . . . . 0.0 111.355 -178.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.064 0 C-N-CA 127.311 2.245 . . . . 0.0 107.462 179.112 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 500' ' ' MXT . . . . . 1.366 ' C11' ' H ' ' A' ' 41' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 600' ' ' MXT . . . . . 0.898 H231 ' O11' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.467 ' HB3' ' O12' ' A' ' 500' ' ' MXT . 31.9 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.308 0 O-C-N 125.664 1.852 . . . . 0.0 106.846 170.436 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.782 1 O-C-N 129.21 4.268 . . . . 0.0 107.958 -176.218 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.919 0 CA-C-N 121.009 1.731 . . . . 0.0 112.627 -178.364 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.195 0 CA-C-N 114.231 -1.349 . . . . 0.0 110.905 -177.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.143 0 C-N-CA 126.993 2.117 . . . . 0.0 110.231 -177.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.451 0 O-C-N 120.938 -1.101 . . . . 0.0 109.825 179.295 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.564 0 N-CA-C 105.903 -1.888 . . . . 0.0 105.903 -177.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 127.141 2.775 . . . . 0.0 107.847 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.572 1.795 0 CA-C-O 115.398 -2.239 . . . . 0.0 106.451 177.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 C--N 1.277 -2.572 1 O-C-N 130.719 5.012 . . . . 0.0 106.327 177.684 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.162 0 CA-C-O 113.734 -3.031 . . . . 0.0 105.886 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-N 121.197 1.817 . . . . 0.0 110.038 -177.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.804 0 O-C-N 125.86 1.975 . . . . 0.0 105.756 -176.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.379 0 O-C-N 127.504 3.002 . . . . 0.0 112.754 -176.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.93 0 O-C-N 127.224 2.828 . . . . 0.0 112.267 177.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 122.147 2.249 . . . . 0.0 111.891 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.331 -0.235 0 O-C-N 126.663 2.477 . . . . 0.0 109.729 -174.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--O 1.242 0.702 0 C-N-CA 124.626 3.551 . . . . 0.0 111.943 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.864 0 CA-C-N 111.77 -2.468 . . . . 0.0 106.715 179.182 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.245 0 O-C-N 127.508 3.373 . . . . 0.0 107.933 178.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.514 0 C-N-CA 121.843 1.695 . . . . 0.0 108.345 178.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.58 0 O-C-N 127.064 2.728 . . . . 0.0 112.207 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.291 -1.967 0 C-N-CA 126.781 2.032 . . . . 0.0 114.951 -174.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.57 1.714 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 175.023 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 124.946 1.404 . . . . 0.0 113.682 -175.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.445 0 CA-C-O 117.4 -1.286 . . . . 0.0 112.804 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.302 0 CA-C-N 121.737 2.062 . . . . 0.0 114.942 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.474 0 C-N-CA 122.156 1.904 . . . . 0.0 113.316 178.098 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.915 0 C-N-CA 129.774 3.229 . . . . 0.0 112.274 178.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.042 0 O-C-N 119.404 -2.06 . . . . 0.0 109.485 178.001 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.559 1.31 0 CA-C-O 115.587 -2.149 . . . . 0.0 109.256 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 127.39 2.931 . . . . 0.0 109.402 179.579 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.253 1.276 0 O-C-N 120.274 -1.516 . . . . 0.0 112.883 177.149 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 122.042 0.925 . . . . 0.0 113.369 179.015 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.306 -1.285 0 C-N-CA 126.471 1.908 . . . . 0.0 109.285 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 125.081 1.488 . . . . 0.0 110.262 175.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.146 0 C-N-CA 127.109 2.163 . . . . 0.0 114.624 178.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 1.981 0 CA-C-O 117.088 -1.951 . . . . 0.0 112.342 178.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.415 0 CA-C-N 118.138 0.969 . . . . 0.0 108.504 179.27 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 176.049 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.246 0.918 0 C-N-CA 123.946 0.898 . . . . 0.0 112.893 -179.507 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.256 1.429 0 N-CA-C 114.973 1.472 . . . . 0.0 114.973 -175.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.105 0 C-N-CA 125.044 1.337 . . . . 0.0 108.104 175.115 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.873 0 O-C-N 124.524 1.14 . . . . 0.0 107.93 177.237 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.21 -0.985 0 CA-C-N 114.279 -1.328 . . . . 0.0 110.115 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-O 115.99 -1.957 . . . . 0.0 112.298 178.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.558 0 C-N-CA 126.859 2.063 . . . . 0.0 116.557 -174.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.602 0 CA-C-O 122.771 1.272 . . . . 0.0 112.29 -178.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 122.401 2.068 . . . . 0.0 115.096 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 177.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.42 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 178.33 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.497 -1.079 0 O-C-N 118.286 -2.759 . . . . 0.0 114.625 -179.09 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.333 0 N-CA-C 115.971 1.841 . . . . 0.0 115.971 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.057 0 CA-C-N 120.248 1.124 . . . . 0.0 114.859 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.296 1.038 . . . . 0.0 112.03 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 O-C-N 125.069 1.481 . . . . 0.0 111.481 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.253 1.287 0 N-CA-C 116.891 2.182 . . . . 0.0 116.891 179.129 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 127.623 2.369 . . . . 0.0 115.527 -178.033 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.246 0.88 0 N-CA-C 117.133 2.272 . . . . 0.0 117.133 -178.541 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.079 0 CA-C-O 115.692 -2.727 . . . . 0.0 118.873 177.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.958 0 CA-C-N 124.184 3.992 . . . . 0.0 111.364 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-O 115.665 -2.112 . . . . 0.0 106.255 177.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.302 -1.491 0 O-C-N 125.468 1.73 . . . . 0.0 107.627 -179.024 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.258 1.507 0 O-C-N 125.767 1.917 . . . . 0.0 111.499 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.366 0 CA-C-O 122.112 0.958 . . . . 0.0 110.727 179.447 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.248 1.023 0 N-CA-C 106.748 -1.575 . . . . 0.0 106.748 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 1.974 0 O-C-N 126.045 2.091 . . . . 0.0 116.204 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.806 0 CA-C-O 117.948 -1.025 . . . . 0.0 112.614 -178.258 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.485 1.955 0 N-CA-C 107.841 -2.103 . . . . 0.0 107.841 -178.394 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 125.353 2.501 . . . . 0.0 112.647 -177.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.826 0 CA-C-N 110.91 -2.859 . . . . 0.0 110.399 179.241 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -0.979 0 O-C-N 126.365 2.291 . . . . 0.0 105.397 176.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.377 0 N-CA-C 117.805 2.52 . . . . 0.0 117.805 -176.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 178.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 103.816 -2.661 . . . . 0.0 103.816 177.095 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 CA-C-N 112.026 -2.352 . . . . 0.0 108.049 -179.312 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.254 1.35 0 N-CA-C 118.527 2.171 . . . . 0.0 118.527 -178.232 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.702 0 O-C-N 121.47 -1.018 . . . . 0.0 112.203 -179.683 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.654 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -177.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.859 0 CA-C-O 124.167 1.937 . . . . 0.0 110.072 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.912 0 CA-C-N 113.398 -1.728 . . . . 0.0 108.362 -178.381 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 C--N 1.318 -0.469 0 CA-C-N 114.082 -1.417 . . . . 0.0 110.178 179.285 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 124.841 0.965 . . . . 0.0 110.0 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.996 0 CA-C-N 114.384 -1.28 . . . . 0.0 109.362 179.289 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 124.522 1.138 . . . . 0.0 110.174 178.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 CA--C 1.501 -0.831 0 N-CA-C 119.059 2.383 . . . . 0.0 119.059 -179.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.837 0 O-C-N 120.867 -1.373 . . . . 0.0 109.104 179.485 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 178.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.881 0 O-C-N 125.687 1.867 . . . . 0.0 110.276 179.126 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.32 0.581 . . . . 0.0 111.869 -179.157 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 115.704 -2.093 . . . . 0.0 108.765 -177.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.293 -1.891 0 O-C-N 127.282 2.864 . . . . 0.0 110.398 178.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-O 117.637 -1.173 . . . . 0.0 109.567 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 O-C-N 128.157 3.411 . . . . 0.0 112.832 -177.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.252 1.232 0 O-C-N 125.149 1.53 . . . . 0.0 111.709 -178.079 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 123.848 0.859 . . . . 0.0 110.147 178.301 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.959 0 N-CA-C 118.019 2.6 . . . . 0.0 118.019 175.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.05 0 C-N-CA 124.069 0.947 . . . . 0.0 109.106 177.481 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 127.435 2.96 . . . . 0.0 111.364 -177.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.373 0 C-N-CA 129.969 3.308 . . . . 0.0 108.986 178.32 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.962 0 O-C-N 126.729 2.518 . . . . 0.0 113.748 -178.101 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 115.3 1.593 . . . . 0.0 115.3 -178.443 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 124.723 1.264 . . . . 0.0 109.931 178.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.39 0 C-N-CA 124.022 0.929 . . . . 0.0 109.188 179.001 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.862 0 C-N-CA 123.503 0.721 . . . . 0.0 112.733 -178.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-O 116.99 -1.481 . . . . 0.0 110.978 -177.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 CA-C-O 116.754 -1.593 . . . . 0.0 110.723 -176.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.143 0 CA-C-N 119.556 1.071 . . . . 0.0 112.847 -178.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 124.939 1.296 . . . . 0.0 111.702 -178.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 125.053 1.471 . . . . 0.0 108.288 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 126.566 2.417 . . . . 0.0 111.623 -178.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.002 0 O-C-N 123.684 0.615 . . . . 0.0 110.498 177.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 -177.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 125.649 1.58 . . . . 0.0 111.258 177.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 C--O 1.243 0.656 0 O-C-N 121.353 -0.842 . . . . 0.0 114.251 -179.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.621 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 179.223 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 119.823 -1.798 . . . . 0.0 109.622 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 116.351 1.982 . . . . 0.0 116.351 -176.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 125.225 1.578 . . . . 0.0 110.323 -176.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 112.513 -2.13 . . . . 0.0 108.295 176.038 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 N-CA-C 104.487 -2.412 . . . . 0.0 104.487 178.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 125.399 1.687 . . . . 0.0 108.285 -177.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.29 0 O-C-N 125.922 2.014 . . . . 0.0 110.992 -175.532 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.447 0 O-C-N 126.282 2.727 . . . . 0.0 115.072 -176.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.526 0 O-C-N 120.393 -1.442 . . . . 0.0 113.827 177.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.374 0 N-CA-C 115.612 1.708 . . . . 0.0 115.612 -176.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.264 1.834 0 CA-C-O 115.111 -2.376 . . . . 0.0 112.729 -178.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.653 0 CA-C-N 120.952 1.706 . . . . 0.0 114.833 -178.008 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.311 -1.08 0 C-N-CA 127.063 2.145 . . . . 0.0 111.173 -179.5 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 O-C-N 126.171 2.169 . . . . 0.0 110.481 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 125.387 1.475 . . . . 0.0 107.03 177.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.726 0 C-N-CA 126.597 1.959 . . . . 0.0 112.635 179.011 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.15 0 CA-C-N 113.154 -1.839 . . . . 0.0 111.437 -177.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.126 0 C-N-CA 123.864 0.866 . . . . 0.0 113.114 -179.138 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 104.159 -2.534 . . . . 0.0 104.159 177.454 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 104.869 -2.271 . . . . 0.0 104.869 178.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 128.512 3.633 . . . . 0.0 116.965 -175.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.339 0 N-CA-C 105.255 -3.138 . . . . 0.0 105.255 177.084 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.273 2.33 0 O-C-N 128.504 3.12 . . . . 0.0 106.504 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.244 0.803 0 C-N-CA 118.91 -1.116 . . . . 0.0 112.673 -177.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.77 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 177.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.823 0 CA-C-O 122.46 1.124 . . . . 0.0 108.088 176.461 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 121.487 1.458 . . . . 0.0 111.868 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 177.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 105.343 -2.095 . . . . 0.0 105.343 177.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 122.813 1.292 . . . . 0.0 110.076 -176.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.168 0 CA-C-N 112.706 -2.043 . . . . 0.0 112.742 179.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.222 0 CA-C-N 118.18 0.99 . . . . 0.0 110.707 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.963 0 O-C-N 123.444 1.234 . . . . 0.0 111.619 177.101 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 103.143 -2.91 . . . . 0.0 103.143 178.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.338 0 O-C-N 126.908 2.63 . . . . 0.0 112.237 -178.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.697 0 N-CA-C 107.557 -1.747 . . . . 0.0 107.557 -179.237 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.974 0 O-C-N 128.131 3.394 . . . . 0.0 102.982 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.982 0 CA-C-O 115.993 -1.956 . . . . 0.0 108.803 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.544 1.849 0 N-CA-C 104.108 -3.597 . . . . 0.0 104.108 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.537 0 CA-C-O 115.687 -2.101 . . . . 0.0 109.458 -178.069 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.742 0 N-CA-C 103.657 -2.72 . . . . 0.0 103.657 -179.154 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.059 0 O-C-N 127.769 3.168 . . . . 0.0 113.524 -177.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 -178.431 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.955 0 O-C-N 126.286 2.241 . . . . 0.0 107.638 -179.104 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.563 -2.139 . . . . 0.0 110.271 -177.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.32 0 N-CA-C 100.578 -3.86 . . . . 0.0 100.578 -174.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.445 -1.345 0 CA-C-O 115.234 -2.069 . . . . 0.0 112.096 178.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.272 -2.8 0 CA-C-N 120.69 1.586 . . . . 0.0 109.547 177.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.43 0 CA-C-N 112.834 -1.985 . . . . 0.0 110.589 178.351 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.322 0 O-C-N 120.955 -1.091 . . . . 0.0 110.433 178.529 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.169 0 O-C-N 125.795 1.935 . . . . 0.0 110.298 -178.364 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.072 0 O-C-N 127.054 2.721 . . . . 0.0 107.019 178.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.626 0 CA-C-O 122.205 1.002 . . . . 0.0 112.958 177.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.44 -0.927 0 O-C-N 117.466 -3.271 . . . . 0.0 114.576 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.799 0 O-C-N 125.605 1.816 . . . . 0.0 108.152 179.468 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.299 -1.604 1 O-C-N 129.258 4.099 . . . . 0.0 109.759 179.215 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 120.09 -1.631 . . . . 0.0 111.84 179.114 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.302 -1.494 0 C-N-CA 125.124 1.37 . . . . 0.0 112.782 178.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.049 0 C-N-CA 128.027 2.727 . . . . 0.0 114.307 -178.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.254 0 C-N-CA 128.252 2.621 . . . . 0.0 111.515 -177.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 C-N-CA 117.571 -1.652 . . . . 0.0 107.41 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.102 0 CA-C-O 117.275 -1.345 . . . . 0.0 109.014 -179.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.314 -1.261 0 C-N-CA 122.859 2.373 . . . . 0.0 111.768 178.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.005 0 O-C-N 118.657 -2.527 . . . . 0.0 115.743 -177.628 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.043 0 C-N-CA 126.645 1.978 . . . . 0.0 110.912 178.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.954 0 C-N-CA 123.416 2.744 . . . . 0.0 115.488 177.442 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-N 121.278 1.853 . . . . 0.0 113.461 178.012 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 124.96 1.304 . . . . 0.0 108.034 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.837 0 C-N-CA 119.057 -1.057 . . . . 0.0 109.724 179.13 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.576 -0.703 . . . . 0.0 109.261 179.133 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 114.24 -1.345 . . . . 0.0 109.725 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-N 119.609 1.095 . . . . 0.0 111.995 -177.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-O 117.101 -1.428 . . . . 0.0 111.918 -178.068 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 115.019 1.489 . . . . 0.0 115.019 -178.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.484 0 CA-C-N 114.567 -1.197 . . . . 0.0 109.155 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-O 124.856 2.265 . . . . 0.0 109.474 178.292 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.499 -1.019 0 CA-C-N 112.728 -2.033 . . . . 0.0 111.268 178.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.295 -1.762 0 CA-C-N 121.156 1.798 . . . . 0.0 112.742 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.317 0 CA-C-O 118.43 -0.795 . . . . 0.0 112.271 -176.296 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 O-C-N 124.11 0.881 . . . . 0.0 109.08 -179.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-O 115.242 -2.313 . . . . 0.0 110.915 -178.118 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.309 -1.181 0 O-C-N 127.586 3.054 . . . . 0.0 111.043 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.788 0 C-N-CA 127.364 2.266 . . . . 0.0 113.754 -177.162 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 126.001 2.063 . . . . 0.0 112.2 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.391 0 CA-C-N 121.326 1.875 . . . . 0.0 114.785 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.588 0 C-N-CA 124.857 1.263 . . . . 0.0 111.415 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 107.165 -1.42 . . . . 0.0 107.165 179.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 178.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 O-C-N 124.86 1.35 . . . . 0.0 110.062 -178.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-N 113.633 -1.621 . . . . 0.0 110.995 178.317 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 127.146 2.178 . . . . 0.0 112.526 -178.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 113.718 -1.583 . . . . 0.0 111.931 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-O 116.77 -1.586 . . . . 0.0 111.69 -178.27 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 126.512 2.382 . . . . 0.0 107.556 178.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.065 0 C-N-CA 126.376 1.87 . . . . 0.0 113.18 179.205 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.64 -179.226 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.193 0 O-C-N 124.459 1.099 . . . . 0.0 108.227 178.145 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 116.573 -1.679 . . . . 0.0 112.11 179.048 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.257 1.478 0 N-CA-C 115.878 1.807 . . . . 0.0 115.878 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 O-C-N 124.497 1.123 . . . . 0.0 111.16 -177.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.115 0 O-C-N 125.431 1.707 . . . . 0.0 111.362 -178.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.042 0 C-N-CA 127.298 2.239 . . . . 0.0 107.44 179.145 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 500' ' ' MXT . . . . . 0.921 ' O11' H231 ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 600' ' ' MXT . . . . . 0.744 H231 ' O12' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.435 ' C ' ' O12' ' A' ' 500' ' ' MXT . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 1.032 ' N ' ' O12' ' A' ' 500' ' ' MXT . 6.6 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.323 0 O-C-N 125.664 1.852 . . . . 0.0 106.871 169.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.746 1 O-C-N 129.21 4.269 . . . . 0.0 107.952 -175.646 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.897 0 CA-C-N 120.998 1.727 . . . . 0.0 112.648 -178.373 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.195 0 CA-C-N 114.219 -1.355 . . . . 0.0 110.89 -176.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.198 0 C-N-CA 126.971 2.109 . . . . 0.0 110.242 -176.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.475 0 O-C-N 120.915 -1.115 . . . . 0.0 109.817 178.035 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.258 1.551 0 N-CA-C 105.921 -1.881 . . . . 0.0 105.921 -177.239 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 127.171 2.795 . . . . 0.0 107.849 179.659 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.783 0 CA-C-O 115.408 -2.234 . . . . 0.0 106.457 177.663 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.537 1 O-C-N 130.676 4.985 . . . . 0.0 106.3 177.779 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.152 0 CA-C-O 113.775 -3.012 . . . . 0.0 105.834 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-N 121.134 1.788 . . . . 0.0 110.024 -177.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 125.894 1.996 . . . . 0.0 105.784 -176.577 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.367 0 O-C-N 127.464 2.977 . . . . 0.0 112.752 -176.356 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.953 0 O-C-N 127.235 2.834 . . . . 0.0 112.246 177.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.928 0 O-C-N 119.067 -2.271 . . . . 0.0 111.888 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--O 1.226 -0.177 0 O-C-N 126.667 2.479 . . . . 0.0 109.707 -174.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.754 0 C-N-CA 124.717 3.612 . . . . 0.0 111.962 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.477 0.881 0 CA-C-N 111.694 -2.503 . . . . 0.0 106.742 179.144 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.249 0 O-C-N 127.526 3.382 . . . . 0.0 107.937 178.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.52 0 C-N-CA 121.829 1.686 . . . . 0.0 108.369 178.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.598 0 O-C-N 127.04 2.712 . . . . 0.0 112.211 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.985 0 C-N-CA 126.77 2.028 . . . . 0.0 114.955 -174.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.698 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 175.021 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 124.922 1.389 . . . . 0.0 113.591 -175.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.408 0 CA-C-O 117.387 -1.292 . . . . 0.0 112.74 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.253 1.263 0 CA-C-N 121.765 2.075 . . . . 0.0 115.008 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.45 0 C-N-CA 122.127 1.885 . . . . 0.0 113.368 178.073 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.91 0 C-N-CA 129.76 3.224 . . . . 0.0 112.247 178.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.311 -1.079 0 O-C-N 119.437 -2.039 . . . . 0.0 109.532 177.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.559 1.304 0 CA-C-O 115.583 -2.151 . . . . 0.0 109.243 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 127.397 2.935 . . . . 0.0 109.402 179.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.226 0 O-C-N 120.341 -1.475 . . . . 0.0 112.91 177.194 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-O 122.07 0.938 . . . . 0.0 113.36 179.002 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.259 0 C-N-CA 126.497 1.919 . . . . 0.0 109.247 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 125.093 1.496 . . . . 0.0 110.269 175.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.153 0 C-N-CA 127.084 2.153 . . . . 0.0 114.586 178.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.547 2.058 0 CA-C-O 117.034 -1.981 . . . . 0.0 112.338 178.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-N 118.121 0.96 . . . . 0.0 108.485 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 107.308 -1.367 . . . . 0.0 107.308 176.004 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.951 0 C-N-CA 123.924 0.89 . . . . 0.0 112.832 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.499 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 -175.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.099 0 C-N-CA 125.056 1.342 . . . . 0.0 108.088 175.095 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 177.174 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.936 0 CA-C-N 114.262 -1.336 . . . . 0.0 110.098 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-O 115.991 -1.956 . . . . 0.0 112.311 178.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.549 0 N-CA-C 116.558 2.059 . . . . 0.0 116.558 -174.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.63 0 CA-C-O 122.768 1.271 . . . . 0.0 112.317 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 122.38 2.053 . . . . 0.0 115.121 -179.536 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 107.497 -1.298 . . . . 0.0 107.497 177.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.435 0 N-CA-C 115.146 1.536 . . . . 0.0 115.146 178.325 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.114 0 O-C-N 118.281 -2.762 . . . . 0.0 114.636 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.297 0 N-CA-C 115.943 1.831 . . . . 0.0 115.943 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.038 0 CA-C-N 120.274 1.134 . . . . 0.0 114.896 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.258 1.023 . . . . 0.0 112.035 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 O-C-N 125.064 1.477 . . . . 0.0 111.46 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.318 0 N-CA-C 116.966 2.209 . . . . 0.0 116.966 179.091 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 127.665 2.386 . . . . 0.0 115.533 -178.114 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.246 0.884 0 N-CA-C 117.1 2.259 . . . . 0.0 117.1 -178.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.051 0 CA-C-O 115.689 -2.729 . . . . 0.0 118.863 177.592 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.29 -1.994 0 CA-C-N 124.149 3.975 . . . . 0.0 111.364 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-O 115.656 -2.116 . . . . 0.0 106.273 177.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.508 0 O-C-N 125.488 1.743 . . . . 0.0 107.633 -178.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.256 1.43 0 O-C-N 125.757 1.91 . . . . 0.0 111.499 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-O 122.113 0.959 . . . . 0.0 110.724 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.076 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 1.993 0 O-C-N 126.026 2.079 . . . . 0.0 116.225 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.264 1.822 0 CA-C-O 117.946 -1.026 . . . . 0.0 112.608 -178.284 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 1.978 0 N-CA-C 107.791 -2.124 . . . . 0.0 107.791 -178.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 125.358 2.504 . . . . 0.0 112.698 -177.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.816 0 CA-C-N 110.936 -2.847 . . . . 0.0 110.383 179.24 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -0.983 0 O-C-N 126.368 2.292 . . . . 0.0 105.393 176.618 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.366 0 N-CA-C 117.835 2.532 . . . . 0.0 117.835 -176.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 178.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 103.851 -2.648 . . . . 0.0 103.851 177.083 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 CA-C-N 112.023 -2.353 . . . . 0.0 108.041 -179.334 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.288 0 N-CA-C 118.495 2.158 . . . . 0.0 118.495 -178.184 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.684 0 O-C-N 121.512 -0.993 . . . . 0.0 112.229 -179.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.663 0 O-C-N 123.697 0.623 . . . . 0.0 112.62 -177.173 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.827 0 CA-C-O 124.215 1.959 . . . . 0.0 110.103 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.874 0 CA-C-N 113.425 -1.716 . . . . 0.0 108.423 -178.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.464 0.501 0 CA-C-N 114.007 -1.451 . . . . 0.0 110.162 179.297 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 124.765 0.921 . . . . 0.0 110.037 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.992 0 CA-C-N 114.329 -1.305 . . . . 0.0 109.381 179.248 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.202 0 O-C-N 124.493 1.121 . . . . 0.0 110.185 178.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.841 0 N-CA-C 119.044 2.378 . . . . 0.0 119.044 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.828 0 O-C-N 120.829 -1.395 . . . . 0.0 109.119 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 107.126 -1.435 . . . . 0.0 107.126 178.594 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.881 0 O-C-N 125.663 1.852 . . . . 0.0 110.288 179.09 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.248 0.547 . . . . 0.0 111.824 -179.143 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 115.753 -2.07 . . . . 0.0 108.82 -177.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.907 0 O-C-N 127.266 2.854 . . . . 0.0 110.353 178.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 117.663 -1.161 . . . . 0.0 109.569 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 O-C-N 128.112 3.383 . . . . 0.0 112.841 -177.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.254 1.307 0 O-C-N 125.175 1.547 . . . . 0.0 111.732 -178.068 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 123.857 0.863 . . . . 0.0 110.202 178.263 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.292 -1.93 0 N-CA-C 118.034 2.605 . . . . 0.0 118.034 175.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.028 0 C-N-CA 124.056 0.942 . . . . 0.0 109.118 177.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 127.46 2.975 . . . . 0.0 111.383 -177.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.408 0 C-N-CA 129.995 3.318 . . . . 0.0 108.973 178.324 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.246 0.919 0 O-C-N 126.782 2.552 . . . . 0.0 113.747 -178.128 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 115.266 1.58 . . . . 0.0 115.266 -178.38 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 124.724 1.265 . . . . 0.0 109.956 178.518 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.379 0 C-N-CA 123.994 0.918 . . . . 0.0 109.198 179.018 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.315 -0.909 0 C-N-CA 123.478 0.711 . . . . 0.0 112.688 -178.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-O 116.984 -1.484 . . . . 0.0 111.018 -177.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.638 0 CA-C-O 116.721 -1.609 . . . . 0.0 110.695 -176.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.159 0 CA-C-N 119.547 1.067 . . . . 0.0 112.885 -178.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 124.931 1.292 . . . . 0.0 111.641 -178.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 125.028 1.455 . . . . 0.0 108.276 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 126.587 2.429 . . . . 0.0 111.582 -178.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.249 1.038 0 C-N-CA 120.198 -0.601 . . . . 0.0 110.539 177.556 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.744 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 -177.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 125.634 1.574 . . . . 0.0 111.252 177.369 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 C--O 1.243 0.676 0 O-C-N 121.328 -0.857 . . . . 0.0 114.262 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 179.279 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 119.857 -1.777 . . . . 0.0 109.677 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.876 0 N-CA-C 116.369 1.989 . . . . 0.0 116.369 -176.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 125.264 1.602 . . . . 0.0 110.328 -176.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 112.558 -2.11 . . . . 0.0 108.307 176.061 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 N-CA-C 104.486 -2.412 . . . . 0.0 104.486 178.49 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 125.414 1.696 . . . . 0.0 108.277 -177.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.28 0 O-C-N 125.915 2.01 . . . . 0.0 110.969 -175.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.453 0 O-C-N 126.295 2.734 . . . . 0.0 115.073 -176.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.257 1.497 0 O-C-N 120.442 -1.411 . . . . 0.0 113.814 177.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.376 0 N-CA-C 115.617 1.71 . . . . 0.0 115.617 -176.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.263 1.808 0 CA-C-O 115.066 -2.397 . . . . 0.0 112.734 -178.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.644 0 CA-C-N 120.946 1.703 . . . . 0.0 114.835 -177.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.026 0 C-N-CA 127.039 2.136 . . . . 0.0 111.234 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 O-C-N 126.214 2.196 . . . . 0.0 110.489 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 107.061 -1.459 . . . . 0.0 107.061 177.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.742 0 C-N-CA 126.621 1.969 . . . . 0.0 112.586 179.06 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.161 0 CA-C-N 113.193 -1.821 . . . . 0.0 111.403 -177.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.309 -1.153 0 C-N-CA 123.844 0.858 . . . . 0.0 113.199 -179.058 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 104.154 -2.535 . . . . 0.0 104.154 177.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 104.846 -2.279 . . . . 0.0 104.846 178.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 128.494 3.621 . . . . 0.0 116.967 -175.569 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.584 4.358 0 N-CA-C 105.267 -3.133 . . . . 0.0 105.267 177.075 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.353 0 O-C-N 128.527 3.133 . . . . 0.0 106.543 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.244 0.814 0 C-N-CA 118.924 -1.111 . . . . 0.0 112.657 -177.618 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.745 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 177.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.244 0.816 0 CA-C-O 122.467 1.127 . . . . 0.0 108.1 176.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.27 0 C-N-CA 121.457 1.438 . . . . 0.0 111.873 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 177.002 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 105.384 -2.08 . . . . 0.0 105.384 177.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 122.754 1.264 . . . . 0.0 110.084 -176.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.161 0 CA-C-N 112.699 -2.046 . . . . 0.0 112.771 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.21 0 CA-C-N 118.139 0.97 . . . . 0.0 110.711 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.926 0 O-C-N 123.485 1.255 . . . . 0.0 111.628 177.31 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.046 0 N-CA-C 103.161 -2.903 . . . . 0.0 103.161 178.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.306 -1.323 0 O-C-N 126.865 2.603 . . . . 0.0 112.233 -178.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.715 0 N-CA-C 107.58 -1.739 . . . . 0.0 107.58 -179.461 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.939 0 O-C-N 128.082 3.364 . . . . 0.0 103.025 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.266 1.948 0 CA-C-O 115.97 -1.966 . . . . 0.0 108.837 -179.182 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.843 0 N-CA-C 104.092 -3.603 . . . . 0.0 104.092 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.532 0 CA-C-O 115.699 -2.096 . . . . 0.0 109.491 -177.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.569 1.701 0 N-CA-C 103.728 -2.693 . . . . 0.0 103.728 -179.119 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.066 0 O-C-N 127.741 3.151 . . . . 0.0 113.493 -176.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 106.306 -1.738 . . . . 0.0 106.306 -178.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.933 0 O-C-N 126.31 2.256 . . . . 0.0 107.651 -178.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 120.077 -1.837 . . . . 0.0 110.271 -177.203 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.335 0 N-CA-C 100.631 -3.84 . . . . 0.0 100.631 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.445 -1.331 0 CA-C-O 115.223 -2.074 . . . . 0.0 112.081 179.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.272 -2.771 0 CA-C-N 120.739 1.609 . . . . 0.0 109.562 177.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.406 0 CA-C-N 112.881 -1.963 . . . . 0.0 110.602 178.29 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.434 -1.269 0 O-C-N 120.924 -1.11 . . . . 0.0 110.391 178.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.556 1.192 0 O-C-N 125.827 1.954 . . . . 0.0 110.244 -178.331 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.289 -2.046 0 O-C-N 127.082 2.739 . . . . 0.0 107.052 178.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.484 -1.58 0 CA-C-O 122.191 0.996 . . . . 0.0 112.908 177.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.442 -0.862 0 O-C-N 117.495 -3.253 . . . . 0.0 114.594 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.571 1.787 0 O-C-N 125.6 1.812 . . . . 0.0 108.17 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.582 1 O-C-N 129.28 4.113 . . . . 0.0 109.733 179.217 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 120.0 -1.688 . . . . 0.0 111.877 179.053 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.3 -1.551 0 C-N-CA 125.134 1.373 . . . . 0.0 112.753 178.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.047 0 C-N-CA 127.98 2.705 . . . . 0.0 114.285 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.273 2.327 0 C-N-CA 128.216 2.606 . . . . 0.0 111.488 -177.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 C-N-CA 117.608 -1.637 . . . . 0.0 107.368 179.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.287 -2.109 0 CA-C-O 117.312 -1.328 . . . . 0.0 108.978 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.314 -1.267 0 C-N-CA 122.886 2.391 . . . . 0.0 111.723 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.247 0.97 0 O-C-N 118.696 -2.502 . . . . 0.0 115.697 -177.364 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.029 0 C-N-CA 126.567 1.947 . . . . 0.0 110.884 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.926 0 C-N-CA 123.413 2.742 . . . . 0.0 115.495 179.333 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-N 121.326 1.875 . . . . 0.0 113.467 178.003 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 124.949 1.299 . . . . 0.0 108.013 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.847 0 C-N-CA 119.075 -1.05 . . . . 0.0 109.738 179.077 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.569 -0.707 . . . . 0.0 109.31 179.102 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 114.225 -1.352 . . . . 0.0 109.765 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 119.548 1.067 . . . . 0.0 111.954 -177.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 117.066 -1.445 . . . . 0.0 111.858 -178.035 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.464 0 CA-C-N 114.563 -1.199 . . . . 0.0 109.191 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-O 124.867 2.27 . . . . 0.0 109.446 178.344 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.033 0 CA-C-N 112.733 -2.031 . . . . 0.0 111.275 178.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-N 121.138 1.79 . . . . 0.0 112.718 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.335 0 CA-C-O 118.476 -0.773 . . . . 0.0 112.31 -176.332 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 O-C-N 124.076 0.86 . . . . 0.0 109.121 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-O 115.237 -2.316 . . . . 0.0 110.854 -178.111 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.199 0 O-C-N 127.567 3.042 . . . . 0.0 111.025 179.024 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.296 -1.754 0 C-N-CA 127.409 2.283 . . . . 0.0 113.792 -177.127 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 125.964 2.04 . . . . 0.0 112.17 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.255 1.414 0 CA-C-N 121.355 1.889 . . . . 0.0 114.788 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.59 0 C-N-CA 124.798 1.239 . . . . 0.0 111.413 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 178.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 178.292 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 O-C-N 124.774 1.296 . . . . 0.0 110.003 -178.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-N 113.67 -1.604 . . . . 0.0 111.046 178.374 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.302 -1.486 0 C-N-CA 127.15 2.18 . . . . 0.0 112.505 -178.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 113.703 -1.59 . . . . 0.0 111.979 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-O 116.749 -1.596 . . . . 0.0 111.726 -178.346 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 126.509 2.381 . . . . 0.0 107.539 178.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.074 0 C-N-CA 126.445 1.898 . . . . 0.0 113.16 179.239 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.651 -179.24 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.173 0 O-C-N 124.435 1.084 . . . . 0.0 108.215 178.15 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-O 116.594 -1.67 . . . . 0.0 112.095 179.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.257 1.492 0 N-CA-C 115.879 1.807 . . . . 0.0 115.879 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 O-C-N 124.482 1.114 . . . . 0.0 111.127 -177.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.126 0 O-C-N 125.477 1.736 . . . . 0.0 111.355 -178.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.076 0 C-N-CA 127.302 2.241 . . . . 0.0 107.409 179.138 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 500' ' ' MXT . . . . . 1.032 ' O12' ' N ' ' A' ' 41' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 600' ' ' MXT . . . . . 0.896 ' O11' H231 ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.445 ' HB3' H122 ' A' ' 500' ' ' MXT . 25.6 t -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.317 0 O-C-N 125.664 1.852 . . . . 0.0 106.87 171.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.707 1 O-C-N 129.201 4.263 . . . . 0.0 108.019 -177.045 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.904 0 CA-C-N 121.04 1.746 . . . . 0.0 112.628 -178.224 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.177 0 CA-C-N 114.237 -1.347 . . . . 0.0 110.912 -178.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.195 0 C-N-CA 127.013 2.125 . . . . 0.0 110.288 -177.339 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.256 1.44 0 O-C-N 120.914 -1.116 . . . . 0.0 109.818 -179.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.26 1.616 0 N-CA-C 105.928 -1.878 . . . . 0.0 105.928 -177.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 127.099 2.75 . . . . 0.0 107.848 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.57 1.75 0 CA-C-O 115.422 -2.227 . . . . 0.0 106.465 178.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.553 1 O-C-N 130.656 4.973 . . . . 0.0 106.319 177.248 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.154 0 CA-C-O 113.72 -3.038 . . . . 0.0 105.873 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-N 121.122 1.783 . . . . 0.0 110.04 -177.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 125.855 1.972 . . . . 0.0 105.785 -176.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.349 0 O-C-N 127.552 3.033 . . . . 0.0 112.765 -176.374 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.95 0 O-C-N 127.262 2.851 . . . . 0.0 112.255 177.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.314 -0.942 0 O-C-N 119.06 -2.275 . . . . 0.0 111.888 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--O 1.224 -0.24 0 O-C-N 126.647 2.467 . . . . 0.0 109.717 -174.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.325 -0.709 0 C-N-CA 124.665 3.577 . . . . 0.0 111.884 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.477 0.876 0 CA-C-N 111.73 -2.486 . . . . 0.0 106.713 179.171 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.246 0 O-C-N 127.597 3.42 . . . . 0.0 107.934 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.537 0 C-N-CA 121.869 1.712 . . . . 0.0 108.31 178.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.428 -1.572 0 O-C-N 127.028 2.705 . . . . 0.0 112.16 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.998 0 C-N-CA 126.773 2.029 . . . . 0.0 114.923 -174.408 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.698 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 175.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 124.917 1.385 . . . . 0.0 113.671 -175.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.257 1.47 0 CA-C-O 117.395 -1.288 . . . . 0.0 112.738 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.328 0 CA-C-N 121.806 2.094 . . . . 0.0 114.926 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.449 0 C-N-CA 122.185 1.923 . . . . 0.0 113.292 178.13 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.292 -1.895 0 C-N-CA 129.783 3.233 . . . . 0.0 112.252 178.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.052 0 O-C-N 119.484 -2.01 . . . . 0.0 109.529 178.003 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.352 0 CA-C-O 115.599 -2.144 . . . . 0.0 109.234 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 127.399 2.937 . . . . 0.0 109.355 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.218 0 O-C-N 120.288 -1.508 . . . . 0.0 112.847 177.224 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-O 122.027 0.917 . . . . 0.0 113.36 178.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.255 0 C-N-CA 126.463 1.905 . . . . 0.0 109.25 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.788 0 O-C-N 125.107 1.504 . . . . 0.0 110.262 175.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.271 2.201 0 C-N-CA 127.062 2.145 . . . . 0.0 114.564 178.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.008 0 CA-C-O 117.096 -1.947 . . . . 0.0 112.392 178.472 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 118.119 0.96 . . . . 0.0 108.508 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 176.065 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.967 0 C-N-CA 123.943 0.897 . . . . 0.0 112.817 -179.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.256 1.447 0 N-CA-C 114.963 1.468 . . . . 0.0 114.963 -175.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.076 0 C-N-CA 125.024 1.33 . . . . 0.0 108.126 175.018 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 177.261 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.961 0 CA-C-N 114.329 -1.305 . . . . 0.0 110.109 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-O 115.987 -1.958 . . . . 0.0 112.302 178.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.561 0 N-CA-C 116.539 2.051 . . . . 0.0 116.539 -174.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.582 0 CA-C-O 122.765 1.269 . . . . 0.0 112.27 -178.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 122.387 2.058 . . . . 0.0 115.138 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 177.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.398 0 N-CA-C 115.2 1.556 . . . . 0.0 115.2 178.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.119 0 O-C-N 118.342 -2.723 . . . . 0.0 114.646 -179.122 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.255 1.346 0 N-CA-C 115.943 1.831 . . . . 0.0 115.943 179.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.051 0 CA-C-N 120.294 1.141 . . . . 0.0 114.876 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.261 1.025 . . . . 0.0 112.041 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 O-C-N 125.063 1.477 . . . . 0.0 111.462 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.3 0 N-CA-C 116.922 2.193 . . . . 0.0 116.922 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 127.67 2.388 . . . . 0.0 115.545 -178.106 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.246 0.869 0 N-CA-C 117.097 2.258 . . . . 0.0 117.097 -178.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.482 -1.98 0 CA-C-O 115.647 -2.751 . . . . 0.0 118.802 177.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.29 -2.007 0 CA-C-N 124.177 3.988 . . . . 0.0 111.313 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-O 115.636 -2.126 . . . . 0.0 106.268 177.496 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.511 0 O-C-N 125.509 1.756 . . . . 0.0 107.628 -178.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.468 0 O-C-N 125.796 1.935 . . . . 0.0 111.457 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-O 122.085 0.945 . . . . 0.0 110.705 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.073 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 2.0 0 O-C-N 126.063 2.102 . . . . 0.0 116.15 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.772 0 CA-C-O 117.973 -1.013 . . . . 0.0 112.613 -178.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 1.977 0 N-CA-C 107.84 -2.104 . . . . 0.0 107.84 -178.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 125.304 2.478 . . . . 0.0 112.703 -177.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.837 0 CA-C-N 110.884 -2.871 . . . . 0.0 110.412 179.223 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -0.986 0 O-C-N 126.456 2.348 . . . . 0.0 105.414 176.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.386 0 N-CA-C 117.79 2.515 . . . . 0.0 117.79 -176.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 178.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 103.793 -2.669 . . . . 0.0 103.793 177.113 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 CA-C-N 112.02 -2.355 . . . . 0.0 108.046 -179.361 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.254 1.379 0 N-CA-C 118.562 2.185 . . . . 0.0 118.562 -178.225 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.684 0 O-C-N 121.409 -1.053 . . . . 0.0 112.277 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.64 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -177.203 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 124.24 1.972 . . . . 0.0 110.056 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.247 0.922 0 CA-C-N 113.433 -1.712 . . . . 0.0 108.414 -178.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.463 0.451 0 CA-C-N 114.071 -1.422 . . . . 0.0 110.205 179.248 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 124.854 0.973 . . . . 0.0 110.023 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.986 0 CA-C-N 114.354 -1.294 . . . . 0.0 109.32 179.319 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.484 1.235 0 O-C-N 124.55 1.156 . . . . 0.0 110.207 178.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.842 0 N-CA-C 119.073 2.389 . . . . 0.0 119.073 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.822 0 O-C-N 120.872 -1.369 . . . . 0.0 109.102 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 178.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.891 0 O-C-N 125.695 1.872 . . . . 0.0 110.282 179.079 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.378 0.608 . . . . 0.0 111.878 -179.132 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 115.703 -2.094 . . . . 0.0 108.791 -177.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.895 0 O-C-N 127.302 2.876 . . . . 0.0 110.352 178.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 117.704 -1.141 . . . . 0.0 109.621 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 O-C-N 128.125 3.391 . . . . 0.0 112.811 -177.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.252 1.228 0 O-C-N 125.147 1.529 . . . . 0.0 111.778 -178.086 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 123.855 0.862 . . . . 0.0 110.186 178.273 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.965 0 N-CA-C 118.056 2.613 . . . . 0.0 118.056 175.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.064 0 C-N-CA 124.11 0.964 . . . . 0.0 109.078 177.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 127.406 2.941 . . . . 0.0 111.36 -177.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 130.06 3.344 . . . . 0.0 108.995 178.286 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.954 0 O-C-N 126.803 2.564 . . . . 0.0 113.785 -178.152 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 115.251 1.574 . . . . 0.0 115.251 -178.409 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 124.667 1.229 . . . . 0.0 109.99 178.514 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.303 -1.422 0 C-N-CA 123.999 0.92 . . . . 0.0 109.192 179.029 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.317 -0.842 0 C-N-CA 123.459 0.704 . . . . 0.0 112.734 -178.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-O 116.994 -1.479 . . . . 0.0 111.006 -177.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 CA-C-O 116.829 -1.557 . . . . 0.0 110.707 -176.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.18 0 CA-C-N 119.51 1.05 . . . . 0.0 112.874 -178.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 124.951 1.3 . . . . 0.0 111.659 -178.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 125.032 1.458 . . . . 0.0 108.274 -179.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 126.562 2.414 . . . . 0.0 111.646 -178.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.023 0 C-N-CA 120.178 -0.609 . . . . 0.0 110.486 177.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.728 0 N-CA-C 114.314 1.227 . . . . 0.0 114.314 -177.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.3 -1.549 0 C-N-CA 125.696 1.598 . . . . 0.0 111.293 177.414 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.466 0.691 0 O-C-N 121.341 -0.849 . . . . 0.0 114.213 -179.386 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.633 0 N-CA-C 113.28 0.845 . . . . 0.0 113.28 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.653 0 O-C-N 119.816 -1.803 . . . . 0.0 109.656 -179.354 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.442 -0.87 0 N-CA-C 116.363 1.986 . . . . 0.0 116.363 -177.008 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 125.222 1.576 . . . . 0.0 110.304 -176.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 112.535 -2.121 . . . . 0.0 108.253 176.059 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 N-CA-C 104.48 -2.415 . . . . 0.0 104.48 178.477 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 125.338 1.649 . . . . 0.0 108.322 -177.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.288 0 O-C-N 125.87 1.981 . . . . 0.0 110.92 -175.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.471 0 O-C-N 126.266 2.719 . . . . 0.0 115.029 -176.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.518 0 O-C-N 120.385 -1.447 . . . . 0.0 113.822 177.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.254 1.338 0 N-CA-C 115.59 1.7 . . . . 0.0 115.59 -176.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.263 1.807 0 CA-C-O 115.058 -2.401 . . . . 0.0 112.788 -178.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.616 0 CA-C-N 120.898 1.681 . . . . 0.0 114.866 -178.012 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.062 0 C-N-CA 127.006 2.123 . . . . 0.0 111.173 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 126.242 2.214 . . . . 0.0 110.425 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 125.397 1.479 . . . . 0.0 107.029 177.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.714 0 C-N-CA 126.561 1.944 . . . . 0.0 112.586 179.111 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.15 0 CA-C-N 113.192 -1.822 . . . . 0.0 111.417 -177.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.127 0 C-N-CA 123.827 0.851 . . . . 0.0 113.147 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 104.172 -2.529 . . . . 0.0 104.172 177.445 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 104.89 -2.263 . . . . 0.0 104.89 178.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 128.483 3.615 . . . . 0.0 117.009 -175.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.297 0 N-CA-C 105.286 -3.126 . . . . 0.0 105.286 177.051 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.273 2.33 0 O-C-N 128.476 3.104 . . . . 0.0 106.529 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.845 0 C-N-CA 118.921 -1.112 . . . . 0.0 112.709 -177.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.759 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 177.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.838 0 CA-C-O 122.462 1.125 . . . . 0.0 108.08 176.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.285 0 C-N-CA 121.491 1.46 . . . . 0.0 111.88 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 176.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 105.326 -2.101 . . . . 0.0 105.326 177.514 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 122.78 1.276 . . . . 0.0 110.063 -176.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.199 0 CA-C-N 112.676 -2.056 . . . . 0.0 112.767 179.281 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.232 0 CA-C-N 118.172 0.986 . . . . 0.0 110.708 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.951 0 O-C-N 123.54 1.284 . . . . 0.0 111.647 177.276 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 103.168 -2.901 . . . . 0.0 103.168 178.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.306 -1.306 0 O-C-N 126.873 2.608 . . . . 0.0 112.237 -178.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.713 0 N-CA-C 107.588 -1.736 . . . . 0.0 107.588 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.29 -1.989 0 O-C-N 128.084 3.365 . . . . 0.0 102.965 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.266 1.963 0 CA-C-O 116.028 -1.939 . . . . 0.0 108.803 -179.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.81 0 N-CA-C 104.056 -3.618 . . . . 0.0 104.056 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.259 1.56 0 CA-C-O 115.631 -2.128 . . . . 0.0 109.477 -178.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.732 0 N-CA-C 103.706 -2.702 . . . . 0.0 103.706 -179.197 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.498 -1.048 0 O-C-N 127.768 3.167 . . . . 0.0 113.539 -177.37 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 106.329 -1.73 . . . . 0.0 106.329 -178.202 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.955 0 O-C-N 126.278 2.236 . . . . 0.0 107.619 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.346 -2.267 . . . . 0.0 110.271 -177.102 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--N 1.302 -1.491 1 O-C-N 115.669 -4.394 . . . . 0.0 100.622 -167.719 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.283 0 CA-C-O 115.253 -2.061 . . . . 0.0 112.086 176.164 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.272 -2.797 0 CA-C-N 120.716 1.598 . . . . 0.0 109.566 177.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.276 2.451 0 CA-C-N 112.851 -1.977 . . . . 0.0 110.594 178.302 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.292 0 O-C-N 120.907 -1.121 . . . . 0.0 110.443 178.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.556 1.188 0 O-C-N 125.798 1.936 . . . . 0.0 110.248 -178.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.289 -2.056 0 O-C-N 127.067 2.729 . . . . 0.0 107.06 178.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.484 -1.571 0 CA-C-O 122.209 1.004 . . . . 0.0 112.904 177.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.89 0 O-C-N 117.516 -3.24 . . . . 0.0 114.556 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.815 0 O-C-N 125.617 1.823 . . . . 0.0 108.142 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.573 1 O-C-N 129.277 4.11 . . . . 0.0 109.794 179.179 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 120.026 -1.672 . . . . 0.0 111.874 179.022 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 125.097 1.359 . . . . 0.0 112.797 178.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.038 0 C-N-CA 127.986 2.708 . . . . 0.0 114.298 -178.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.287 0 C-N-CA 128.29 2.636 . . . . 0.0 111.474 -178.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 C-N-CA 117.565 -1.654 . . . . 0.0 107.431 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.092 0 CA-C-O 117.242 -1.361 . . . . 0.0 109.006 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.304 0 C-N-CA 122.837 2.358 . . . . 0.0 111.768 178.149 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 0.993 0 O-C-N 118.686 -2.509 . . . . 0.0 115.728 -177.778 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.03 0 C-N-CA 126.598 1.959 . . . . 0.0 110.933 176.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.926 0 C-N-CA 123.401 2.734 . . . . 0.0 115.484 178.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-N 121.304 1.865 . . . . 0.0 113.398 178.017 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 125.006 1.322 . . . . 0.0 107.996 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.836 0 C-N-CA 119.043 -1.063 . . . . 0.0 109.776 179.098 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.569 -0.707 . . . . 0.0 109.329 179.079 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-N 114.256 -1.338 . . . . 0.0 109.766 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 119.576 1.08 . . . . 0.0 111.95 -177.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-O 117.069 -1.443 . . . . 0.0 111.841 -178.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 -178.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.256 1.447 0 CA-C-N 114.596 -1.183 . . . . 0.0 109.202 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-O 124.888 2.28 . . . . 0.0 109.419 178.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.027 0 CA-C-N 112.762 -2.017 . . . . 0.0 111.328 178.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.756 0 CA-C-N 121.143 1.792 . . . . 0.0 112.706 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.253 1.243 0 CA-C-O 118.427 -0.797 . . . . 0.0 112.256 -176.285 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 O-C-N 124.122 0.889 . . . . 0.0 109.09 -179.282 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-O 115.288 -2.291 . . . . 0.0 110.932 -178.147 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.203 0 O-C-N 127.535 3.022 . . . . 0.0 111.025 179.002 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.786 0 C-N-CA 127.378 2.271 . . . . 0.0 113.745 -177.168 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 125.966 2.041 . . . . 0.0 112.157 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.367 0 CA-C-N 121.33 1.877 . . . . 0.0 114.815 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.576 0 C-N-CA 124.771 1.229 . . . . 0.0 111.371 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 178.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 107.267 -1.382 . . . . 0.0 107.267 178.238 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 O-C-N 124.843 1.34 . . . . 0.0 110.027 -178.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 113.65 -1.614 . . . . 0.0 111.075 178.329 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.302 -1.476 0 C-N-CA 127.112 2.165 . . . . 0.0 112.524 -178.556 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 113.686 -1.597 . . . . 0.0 111.958 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-O 116.764 -1.589 . . . . 0.0 111.698 -178.31 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 126.563 2.414 . . . . 0.0 107.534 178.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 126.46 1.904 . . . . 0.0 113.097 179.29 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.636 -179.189 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.195 0 O-C-N 124.408 1.068 . . . . 0.0 108.18 178.159 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 116.546 -1.692 . . . . 0.0 112.077 179.051 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.506 0 N-CA-C 115.929 1.826 . . . . 0.0 115.929 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 O-C-N 124.498 1.124 . . . . 0.0 111.108 -177.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.133 0 O-C-N 125.489 1.743 . . . . 0.0 111.363 -178.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.071 0 C-N-CA 127.234 2.214 . . . . 0.0 107.489 179.115 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 500' ' ' MXT . . . . . 0.451 H221 ' O12' ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 600' ' ' MXT . . . . . 0.75 H231 ' O12' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.634 ' C ' H111 ' A' ' 500' ' ' MXT . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 1.104 ' N ' H111 ' A' ' 500' ' ' MXT . 22.6 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.928 ' N ' ' O12' ' A' ' 500' ' ' MXT . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.506 2.34 0 O-C-N 125.664 1.852 . . . . 0.0 106.851 169.016 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.749 1 O-C-N 129.189 4.257 . . . . 0.0 107.965 -175.336 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.926 0 CA-C-N 120.999 1.727 . . . . 0.0 112.613 -178.369 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.502 2.154 0 CA-C-N 114.204 -1.362 . . . . 0.0 110.956 -175.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.185 0 C-N-CA 126.982 2.113 . . . . 0.0 110.239 -176.501 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.485 0 O-C-N 120.842 -1.161 . . . . 0.0 109.873 -179.329 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.58 0 N-CA-C 105.946 -1.872 . . . . 0.0 105.946 -177.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 127.129 2.768 . . . . 0.0 107.823 178.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.572 1.792 0 CA-C-O 115.442 -2.218 . . . . 0.0 106.394 178.056 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.533 1 O-C-N 130.681 4.988 . . . . 0.0 106.316 177.064 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.135 0 CA-C-O 113.758 -3.02 . . . . 0.0 105.863 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.432 0 CA-C-N 121.14 1.791 . . . . 0.0 110.041 -177.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.294 -1.805 0 O-C-N 125.937 2.023 . . . . 0.0 105.807 -176.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.343 0 O-C-N 127.521 3.013 . . . . 0.0 112.748 -176.345 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.96 0 O-C-N 127.247 2.842 . . . . 0.0 112.286 177.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.925 0 O-C-N 119.094 -2.254 . . . . 0.0 111.896 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--O 1.225 -0.209 0 O-C-N 126.662 2.477 . . . . 0.0 109.684 -174.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.325 -0.702 0 C-N-CA 124.598 3.532 . . . . 0.0 111.995 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.844 0 CA-C-N 111.715 -2.493 . . . . 0.0 106.768 179.134 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.315 -1.215 0 O-C-N 127.476 3.356 . . . . 0.0 107.91 179.043 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.541 0 O-C-N 124.332 1.701 . . . . 0.0 108.347 178.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.612 0 O-C-N 127.032 2.708 . . . . 0.0 112.149 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.289 -2.022 0 C-N-CA 126.735 2.014 . . . . 0.0 114.913 -174.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.711 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 175.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 124.913 1.383 . . . . 0.0 113.615 -175.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.257 1.468 0 CA-C-O 117.394 -1.289 . . . . 0.0 112.761 -179.408 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.29 0 CA-C-N 121.772 2.078 . . . . 0.0 114.898 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.484 0 C-N-CA 122.203 1.935 . . . . 0.0 113.298 178.143 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.904 0 C-N-CA 129.796 3.238 . . . . 0.0 112.252 178.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.055 0 O-C-N 119.417 -2.052 . . . . 0.0 109.525 178.009 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.341 0 CA-C-O 115.63 -2.129 . . . . 0.0 109.255 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 127.4 2.937 . . . . 0.0 109.388 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.253 1.239 0 O-C-N 120.301 -1.499 . . . . 0.0 112.913 177.161 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-O 122.033 0.92 . . . . 0.0 113.343 179.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.269 0 C-N-CA 126.469 1.908 . . . . 0.0 109.295 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 125.128 1.517 . . . . 0.0 110.246 175.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.158 0 C-N-CA 127.072 2.149 . . . . 0.0 114.552 178.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 1.998 0 CA-C-O 117.097 -1.946 . . . . 0.0 112.35 178.451 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 118.129 0.964 . . . . 0.0 108.465 179.303 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 176.025 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.935 0 C-N-CA 123.951 0.9 . . . . 0.0 112.872 -179.504 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.466 0 N-CA-C 115.022 1.49 . . . . 0.0 115.022 -175.559 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.31 -1.139 0 C-N-CA 124.982 1.313 . . . . 0.0 108.07 175.116 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 177.261 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.955 0 CA-C-N 114.291 -1.322 . . . . 0.0 110.107 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-O 116.008 -1.949 . . . . 0.0 112.315 178.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.278 -2.527 0 N-CA-C 116.565 2.061 . . . . 0.0 116.565 -174.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.593 0 CA-C-O 122.794 1.283 . . . . 0.0 112.292 -178.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.448 -1.206 0 C-N-CA 122.389 2.06 . . . . 0.0 115.092 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.686 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 177.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.434 0 N-CA-C 115.162 1.542 . . . . 0.0 115.162 178.328 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.107 0 O-C-N 118.314 -2.741 . . . . 0.0 114.627 -179.04 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.302 0 N-CA-C 115.919 1.822 . . . . 0.0 115.919 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.045 0 CA-C-N 120.285 1.138 . . . . 0.0 114.861 -179.583 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.268 1.027 . . . . 0.0 112.036 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 O-C-N 125.103 1.502 . . . . 0.0 111.475 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.255 1.372 0 N-CA-C 116.911 2.189 . . . . 0.0 116.911 179.101 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 127.634 2.374 . . . . 0.0 115.558 -178.086 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.836 0 N-CA-C 117.143 2.275 . . . . 0.0 117.143 -178.546 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.063 0 CA-C-O 115.684 -2.731 . . . . 0.0 118.833 177.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.941 1 CA-C-N 124.202 4.001 . . . . 0.0 111.375 179.736 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.483 1.201 0 CA-C-O 115.686 -2.102 . . . . 0.0 106.233 177.585 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.508 0 O-C-N 125.418 1.699 . . . . 0.0 107.621 -178.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.491 0 O-C-N 125.762 1.914 . . . . 0.0 111.512 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-O 122.118 0.961 . . . . 0.0 110.721 179.435 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.25 1.102 0 N-CA-C 106.754 -1.573 . . . . 0.0 106.754 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.266 1.95 0 O-C-N 126.057 2.098 . . . . 0.0 116.208 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.797 0 CA-C-O 117.929 -1.034 . . . . 0.0 112.579 -178.281 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 1.983 0 N-CA-C 107.817 -2.113 . . . . 0.0 107.817 -178.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 125.324 2.488 . . . . 0.0 112.67 -177.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.837 0 CA-C-N 110.876 -2.875 . . . . 0.0 110.444 179.141 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -1.01 0 O-C-N 126.39 2.306 . . . . 0.0 105.462 176.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.401 0 N-CA-C 117.765 2.506 . . . . 0.0 117.765 -176.515 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 178.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 103.772 -2.677 . . . . 0.0 103.772 177.1 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 CA-C-N 111.966 -2.379 . . . . 0.0 107.994 -179.329 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.298 0 N-CA-C 118.546 2.178 . . . . 0.0 118.546 -178.242 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.671 0 O-C-N 121.493 -1.004 . . . . 0.0 112.226 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.606 0 O-C-N 123.682 0.614 . . . . 0.0 112.624 -177.123 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.834 0 CA-C-O 124.233 1.968 . . . . 0.0 110.068 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.895 0 CA-C-N 113.456 -1.702 . . . . 0.0 108.358 -178.355 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 C--N 1.318 -0.459 0 CA-C-N 114.03 -1.441 . . . . 0.0 110.135 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 124.83 0.959 . . . . 0.0 109.978 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.994 0 CA-C-N 114.364 -1.289 . . . . 0.0 109.324 179.303 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.484 1.246 0 O-C-N 124.551 1.157 . . . . 0.0 110.22 178.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.839 0 N-CA-C 119.057 2.383 . . . . 0.0 119.057 -179.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.214 -0.811 0 O-C-N 120.842 -1.387 . . . . 0.0 109.107 179.446 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.307 -1.278 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 178.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.894 0 O-C-N 125.672 1.857 . . . . 0.0 110.282 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.346 0.593 . . . . 0.0 111.875 -179.145 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 115.728 -2.082 . . . . 0.0 108.81 -177.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.293 -1.885 0 O-C-N 127.248 2.843 . . . . 0.0 110.362 178.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 117.645 -1.169 . . . . 0.0 109.575 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 O-C-N 128.125 3.391 . . . . 0.0 112.817 -177.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.274 0 O-C-N 125.113 1.508 . . . . 0.0 111.737 -178.081 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 123.903 0.881 . . . . 0.0 110.179 178.234 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.967 0 N-CA-C 118.039 2.607 . . . . 0.0 118.039 175.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.054 0 C-N-CA 124.119 0.968 . . . . 0.0 109.091 177.506 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 127.407 2.942 . . . . 0.0 111.371 -177.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.391 0 C-N-CA 130.005 3.322 . . . . 0.0 109.015 178.268 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.925 0 O-C-N 126.713 2.508 . . . . 0.0 113.78 -178.124 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 115.276 1.584 . . . . 0.0 115.276 -178.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 124.744 1.278 . . . . 0.0 109.96 178.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.386 0 C-N-CA 123.998 0.919 . . . . 0.0 109.163 179.068 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.315 -0.907 0 C-N-CA 123.47 0.708 . . . . 0.0 112.7 -178.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-O 116.984 -1.484 . . . . 0.0 110.973 -177.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.673 0 CA-C-O 116.731 -1.604 . . . . 0.0 110.658 -176.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.149 0 CA-C-N 119.543 1.065 . . . . 0.0 112.816 -178.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.431 -1.39 0 C-N-CA 124.956 1.302 . . . . 0.0 111.672 -178.478 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 124.992 1.433 . . . . 0.0 108.265 -179.537 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 126.575 2.422 . . . . 0.0 111.581 -178.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.014 0 C-N-CA 120.167 -0.613 . . . . 0.0 110.531 177.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 -177.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 125.661 1.584 . . . . 0.0 111.256 177.383 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.466 0.664 0 O-C-N 121.321 -0.862 . . . . 0.0 114.23 -179.469 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.508 -0.643 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 179.235 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 119.764 -1.835 . . . . 0.0 109.647 -179.395 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 116.396 1.999 . . . . 0.0 116.396 -176.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 125.217 1.573 . . . . 0.0 110.296 -176.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 112.517 -2.129 . . . . 0.0 108.3 176.048 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 N-CA-C 104.567 -2.383 . . . . 0.0 104.567 178.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 125.336 1.647 . . . . 0.0 108.281 -177.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.302 -1.306 0 O-C-N 125.926 2.016 . . . . 0.0 110.969 -175.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.474 0 O-C-N 126.252 2.711 . . . . 0.0 115.055 -176.547 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 120.442 -1.411 . . . . 0.0 113.842 177.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.256 1.41 0 N-CA-C 115.576 1.695 . . . . 0.0 115.576 -176.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.263 1.791 0 CA-C-O 115.084 -2.388 . . . . 0.0 112.761 -178.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.632 0 CA-C-N 120.915 1.689 . . . . 0.0 114.827 -178.022 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.063 0 C-N-CA 127.001 2.12 . . . . 0.0 111.208 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 O-C-N 126.203 2.19 . . . . 0.0 110.478 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 177.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.744 0 C-N-CA 126.612 1.965 . . . . 0.0 112.62 178.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.149 0 CA-C-N 113.171 -1.831 . . . . 0.0 111.447 -177.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.135 0 C-N-CA 123.813 0.845 . . . . 0.0 113.171 -179.103 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 104.206 -2.516 . . . . 0.0 104.206 177.405 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 104.832 -2.284 . . . . 0.0 104.832 178.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 128.508 3.63 . . . . 0.0 116.954 -175.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.34 0 N-CA-C 105.301 -3.119 . . . . 0.0 105.301 177.085 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.362 0 O-C-N 128.488 3.111 . . . . 0.0 106.498 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.829 0 C-N-CA 118.978 -1.089 . . . . 0.0 112.728 -177.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.746 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 177.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.834 0 CA-C-O 122.409 1.1 . . . . 0.0 108.155 176.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.313 0 C-N-CA 121.463 1.442 . . . . 0.0 111.903 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 177.068 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 105.369 -2.086 . . . . 0.0 105.369 177.492 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 122.813 1.292 . . . . 0.0 110.118 -176.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.25 1.122 0 CA-C-N 112.671 -2.059 . . . . 0.0 112.78 -179.112 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.216 0 CA-C-N 118.159 0.979 . . . . 0.0 110.723 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.453 -0.895 0 O-C-N 123.539 1.284 . . . . 0.0 111.644 177.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 103.193 -2.892 . . . . 0.0 103.193 177.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.357 0 O-C-N 126.874 2.609 . . . . 0.0 112.254 -177.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.69 0 N-CA-C 107.585 -1.736 . . . . 0.0 107.585 176.088 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.94 0 O-C-N 128.109 3.38 . . . . 0.0 102.99 -178.62 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.266 1.947 0 CA-C-O 116.024 -1.941 . . . . 0.0 108.802 178.638 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.839 0 N-CA-C 104.081 -3.608 . . . . 0.0 104.081 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.521 0 CA-C-O 115.672 -2.109 . . . . 0.0 109.481 -172.527 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.737 0 N-CA-C 103.682 -2.71 . . . . 0.0 103.682 178.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.087 0 O-C-N 127.755 3.159 . . . . 0.0 113.517 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 106.324 -1.732 . . . . 0.0 106.324 -178.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.92 0 O-C-N 126.246 2.216 . . . . 0.0 107.643 -179.122 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.53 -2.159 . . . . 0.0 110.271 -178.152 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.3 0 N-CA-C 100.587 -3.857 . . . . 0.0 100.587 -177.575 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.305 0 CA-C-O 115.201 -2.083 . . . . 0.0 112.113 178.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.825 0 CA-C-N 120.68 1.582 . . . . 0.0 109.553 177.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.397 0 CA-C-N 112.813 -1.994 . . . . 0.0 110.642 178.313 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.295 0 O-C-N 120.949 -1.094 . . . . 0.0 110.403 178.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.158 0 O-C-N 125.817 1.948 . . . . 0.0 110.278 -178.321 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.289 -2.061 0 O-C-N 127.012 2.695 . . . . 0.0 107.033 178.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.605 0 CA-C-O 122.246 1.022 . . . . 0.0 112.942 177.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.442 -0.857 0 O-C-N 117.444 -3.285 . . . . 0.0 114.565 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.573 1.831 0 O-C-N 125.624 1.827 . . . . 0.0 108.094 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.299 -1.595 1 O-C-N 129.279 4.112 . . . . 0.0 109.763 179.184 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 120.051 -1.656 . . . . 0.0 111.835 179.093 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 125.12 1.368 . . . . 0.0 112.748 178.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.29 -2.006 0 C-N-CA 127.977 2.703 . . . . 0.0 114.329 -177.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.281 0 C-N-CA 128.268 2.627 . . . . 0.0 111.491 -178.067 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 C-N-CA 117.537 -1.665 . . . . 0.0 107.402 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.287 -2.118 0 CA-C-O 117.311 -1.328 . . . . 0.0 108.98 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.298 0 C-N-CA 122.904 2.402 . . . . 0.0 111.76 178.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 0.997 0 O-C-N 118.625 -2.547 . . . . 0.0 115.68 -178.631 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.056 0 C-N-CA 126.632 1.973 . . . . 0.0 110.936 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.941 0 C-N-CA 123.404 2.736 . . . . 0.0 115.519 179.356 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-N 121.294 1.861 . . . . 0.0 113.414 178.021 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 124.941 1.297 . . . . 0.0 108.073 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.86 0 C-N-CA 118.991 -1.083 . . . . 0.0 109.769 179.094 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.531 -0.731 . . . . 0.0 109.281 179.097 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 C--O 1.244 0.773 0 CA-C-N 114.281 -1.327 . . . . 0.0 109.726 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 119.625 1.102 . . . . 0.0 111.945 -177.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 117.067 -1.445 . . . . 0.0 111.829 -177.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 115.032 1.493 . . . . 0.0 115.032 -178.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.457 0 CA-C-N 114.587 -1.188 . . . . 0.0 109.17 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-O 124.876 2.274 . . . . 0.0 109.435 178.289 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.044 0 CA-C-N 112.705 -2.043 . . . . 0.0 111.325 178.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-N 121.088 1.767 . . . . 0.0 112.745 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.253 1.258 0 CA-C-O 118.455 -0.783 . . . . 0.0 112.268 -176.307 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 O-C-N 124.108 0.88 . . . . 0.0 109.124 -179.304 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-O 115.209 -2.329 . . . . 0.0 110.894 -178.135 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.215 0 O-C-N 127.562 3.039 . . . . 0.0 111.082 178.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.296 -1.748 0 C-N-CA 127.409 2.284 . . . . 0.0 113.769 -177.17 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 126.005 2.066 . . . . 0.0 112.176 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.39 0 CA-C-N 121.318 1.872 . . . . 0.0 114.781 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.557 0 C-N-CA 124.827 1.251 . . . . 0.0 111.408 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 178.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.307 -1.264 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 178.254 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 O-C-N 124.805 1.316 . . . . 0.0 110.04 -178.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 113.643 -1.617 . . . . 0.0 111.02 178.332 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.509 0 C-N-CA 127.129 2.172 . . . . 0.0 112.557 -178.568 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 113.683 -1.599 . . . . 0.0 111.988 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.685 0 CA-C-O 116.755 -1.593 . . . . 0.0 111.667 -178.297 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 126.52 2.387 . . . . 0.0 107.552 178.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.035 0 C-N-CA 126.369 1.868 . . . . 0.0 113.17 179.246 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.613 -179.24 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.184 0 O-C-N 124.459 1.1 . . . . 0.0 108.214 178.161 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-O 116.611 -1.662 . . . . 0.0 112.1 179.079 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.257 1.488 0 N-CA-C 115.905 1.817 . . . . 0.0 115.905 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 O-C-N 124.53 1.144 . . . . 0.0 111.175 -177.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.112 0 O-C-N 125.481 1.738 . . . . 0.0 111.374 -178.692 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.084 0 C-N-CA 127.318 2.247 . . . . 0.0 107.411 179.125 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 500' ' ' MXT . . . . . 1.104 H111 ' N ' ' A' ' 41' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 600' ' ' MXT . . . . . 0.873 ' O11' H231 ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.471 ' HA ' H121 ' A' ' 500' ' ' MXT . 1.7 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.506 2.328 0 O-C-N 125.664 1.852 . . . . 0.0 106.849 167.065 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.711 1 O-C-N 129.185 4.255 . . . . 0.0 107.992 -172.668 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.937 0 CA-C-N 121.023 1.738 . . . . 0.0 112.608 -178.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.178 0 CA-C-N 114.277 -1.329 . . . . 0.0 110.915 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.206 0 C-N-CA 126.962 2.105 . . . . 0.0 110.239 -176.205 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.457 0 O-C-N 120.935 -1.103 . . . . 0.0 109.876 -172.105 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.559 0 N-CA-C 105.897 -1.89 . . . . 0.0 105.897 -177.149 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 127.154 2.784 . . . . 0.0 107.828 179.043 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.57 1.749 0 CA-C-O 115.425 -2.226 . . . . 0.0 106.468 -178.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.511 2.586 1 O-C-N 130.687 4.992 . . . . 0.0 106.327 173.071 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.138 0 CA-C-O 113.728 -3.034 . . . . 0.0 105.899 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-N 121.155 1.798 . . . . 0.0 110.048 -177.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 125.86 1.975 . . . . 0.0 105.765 -176.586 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.377 0 O-C-N 127.557 3.036 . . . . 0.0 112.74 -176.361 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.948 0 O-C-N 127.205 2.815 . . . . 0.0 112.231 177.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 122.175 2.261 . . . . 0.0 111.921 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--O 1.225 -0.221 0 O-C-N 126.636 2.46 . . . . 0.0 109.691 -174.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.722 0 C-N-CA 124.668 3.578 . . . . 0.0 111.963 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.845 0 CA-C-N 111.715 -2.493 . . . . 0.0 106.751 179.167 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.315 -1.233 0 O-C-N 127.504 3.37 . . . . 0.0 107.915 178.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.506 0 C-N-CA 121.861 1.707 . . . . 0.0 108.354 178.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.428 -1.559 0 O-C-N 127.104 2.752 . . . . 0.0 112.133 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -2.008 0 C-N-CA 126.746 2.018 . . . . 0.0 114.929 -174.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.57 1.728 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 175.03 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 124.93 1.394 . . . . 0.0 113.602 -175.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.41 0 CA-C-O 117.427 -1.273 . . . . 0.0 112.785 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.315 0 CA-C-N 121.716 2.053 . . . . 0.0 114.928 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.311 -1.442 0 C-N-CA 122.192 1.928 . . . . 0.0 113.302 178.081 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.293 -1.879 0 C-N-CA 129.821 3.248 . . . . 0.0 112.251 178.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.064 0 O-C-N 119.421 -2.049 . . . . 0.0 109.516 178.016 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.339 0 CA-C-O 115.601 -2.142 . . . . 0.0 109.204 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 127.364 2.915 . . . . 0.0 109.396 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.23 0 O-C-N 120.275 -1.516 . . . . 0.0 112.915 177.148 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 122.004 0.907 . . . . 0.0 113.336 179.037 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.27 0 C-N-CA 126.466 1.906 . . . . 0.0 109.313 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.296 -1.758 0 O-C-N 125.122 1.514 . . . . 0.0 110.256 175.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.133 0 C-N-CA 127.052 2.141 . . . . 0.0 114.576 178.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.004 0 CA-C-O 117.127 -1.929 . . . . 0.0 112.397 178.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 118.106 0.953 . . . . 0.0 108.487 179.337 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 176.034 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.959 0 C-N-CA 123.885 0.874 . . . . 0.0 112.875 -179.528 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.474 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 -175.54 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.31 -1.118 0 C-N-CA 125.025 1.33 . . . . 0.0 108.079 175.099 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 177.227 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.96 0 CA-C-N 114.334 -1.303 . . . . 0.0 110.06 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-O 116.03 -1.938 . . . . 0.0 112.33 178.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.556 0 N-CA-C 116.562 2.06 . . . . 0.0 116.562 -174.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.595 0 CA-C-O 122.71 1.243 . . . . 0.0 112.322 -178.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 122.388 2.058 . . . . 0.0 115.098 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 177.611 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.427 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 178.355 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.115 0 O-C-N 118.318 -2.739 . . . . 0.0 114.615 -179.046 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.337 0 N-CA-C 115.944 1.831 . . . . 0.0 115.944 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.042 0 CA-C-N 120.321 1.151 . . . . 0.0 114.859 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.295 1.038 . . . . 0.0 112.019 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 O-C-N 125.096 1.498 . . . . 0.0 111.501 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.255 1.348 0 N-CA-C 116.9 2.185 . . . . 0.0 116.9 179.097 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 127.639 2.376 . . . . 0.0 115.552 -178.035 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.866 0 N-CA-C 117.129 2.27 . . . . 0.0 117.129 -178.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.081 0 CA-C-O 115.723 -2.71 . . . . 0.0 118.905 177.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.951 0 CA-C-N 124.182 3.991 . . . . 0.0 111.363 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-O 115.632 -2.128 . . . . 0.0 106.266 177.491 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.302 -1.489 0 O-C-N 125.524 1.765 . . . . 0.0 107.68 -178.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.478 0 O-C-N 125.764 1.915 . . . . 0.0 111.491 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-O 122.051 0.929 . . . . 0.0 110.75 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.051 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.266 1.965 0 O-C-N 126.053 2.096 . . . . 0.0 116.2 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.773 0 CA-C-O 117.976 -1.011 . . . . 0.0 112.605 -178.27 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 1.968 0 N-CA-C 107.825 -2.11 . . . . 0.0 107.825 -178.415 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 125.303 2.477 . . . . 0.0 112.694 -177.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.86 0 CA-C-N 110.93 -2.85 . . . . 0.0 110.44 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.314 -0.975 0 O-C-N 126.372 2.295 . . . . 0.0 105.43 176.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.386 0 N-CA-C 117.838 2.533 . . . . 0.0 117.838 -176.558 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 178.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 103.815 -2.661 . . . . 0.0 103.815 177.083 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 CA-C-N 112.011 -2.359 . . . . 0.0 108.025 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.317 0 N-CA-C 118.547 2.179 . . . . 0.0 118.547 -178.256 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.704 0 O-C-N 121.483 -1.01 . . . . 0.0 112.285 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.661 0 N-CA-C 112.613 0.597 . . . . 0.0 112.613 -177.16 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.857 0 CA-C-O 124.228 1.966 . . . . 0.0 110.066 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.894 0 CA-C-N 113.439 -1.71 . . . . 0.0 108.394 -178.423 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 C--N 1.317 -0.477 0 CA-C-N 114.055 -1.43 . . . . 0.0 110.161 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 124.828 0.958 . . . . 0.0 110.048 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.998 0 CA-C-N 114.337 -1.301 . . . . 0.0 109.376 179.289 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.484 1.232 0 O-C-N 124.49 1.119 . . . . 0.0 110.155 178.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.837 0 N-CA-C 119.021 2.368 . . . . 0.0 119.021 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.832 0 O-C-N 120.898 -1.354 . . . . 0.0 109.077 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 107.082 -1.451 . . . . 0.0 107.082 178.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.916 0 O-C-N 125.637 1.836 . . . . 0.0 110.233 179.152 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.301 0.572 . . . . 0.0 111.894 -179.186 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 115.729 -2.081 . . . . 0.0 108.858 -177.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.903 0 O-C-N 127.266 2.854 . . . . 0.0 110.378 178.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 117.659 -1.162 . . . . 0.0 109.564 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 O-C-N 128.134 3.396 . . . . 0.0 112.792 -177.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.259 0 O-C-N 125.147 1.529 . . . . 0.0 111.756 -178.057 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 123.89 0.876 . . . . 0.0 110.202 178.238 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.968 0 N-CA-C 118.026 2.602 . . . . 0.0 118.026 175.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.062 0 C-N-CA 124.107 0.963 . . . . 0.0 109.065 177.515 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 127.431 2.957 . . . . 0.0 111.409 -177.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.383 0 C-N-CA 129.998 3.319 . . . . 0.0 108.966 178.329 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.246 0.913 0 O-C-N 126.779 2.55 . . . . 0.0 113.782 -178.103 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 115.297 1.591 . . . . 0.0 115.297 -178.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 124.733 1.271 . . . . 0.0 109.944 178.557 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.385 0 C-N-CA 124.026 0.93 . . . . 0.0 109.179 179.001 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.883 0 C-N-CA 123.472 0.709 . . . . 0.0 112.671 -178.437 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-O 116.986 -1.483 . . . . 0.0 110.984 -177.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 CA-C-O 116.789 -1.577 . . . . 0.0 110.675 -176.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.183 0 CA-C-N 119.563 1.074 . . . . 0.0 112.851 -178.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 124.974 1.309 . . . . 0.0 111.684 -178.469 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 125.017 1.448 . . . . 0.0 108.265 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 126.542 2.401 . . . . 0.0 111.586 -178.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.009 0 C-N-CA 120.188 -0.605 . . . . 0.0 110.511 177.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 114.352 1.241 . . . . 0.0 114.352 -177.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 125.634 1.574 . . . . 0.0 111.225 177.362 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.465 0.618 0 O-C-N 121.291 -0.881 . . . . 0.0 114.298 -179.394 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.616 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 179.249 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 119.822 -1.799 . . . . 0.0 109.668 -179.405 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.882 0 N-CA-C 116.372 1.99 . . . . 0.0 116.372 -176.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 125.31 1.631 . . . . 0.0 110.315 -176.624 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 112.556 -2.111 . . . . 0.0 108.292 176.001 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 N-CA-C 104.473 -2.418 . . . . 0.0 104.473 178.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 125.413 1.696 . . . . 0.0 108.33 -177.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.283 0 O-C-N 125.926 2.016 . . . . 0.0 110.995 -175.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.446 0 O-C-N 126.313 2.744 . . . . 0.0 115.044 -176.539 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.257 1.491 0 O-C-N 120.395 -1.44 . . . . 0.0 113.796 177.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.256 1.395 0 N-CA-C 115.592 1.701 . . . . 0.0 115.592 -176.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.264 1.827 0 CA-C-O 115.075 -2.393 . . . . 0.0 112.762 -178.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.638 0 CA-C-N 120.893 1.679 . . . . 0.0 114.833 -178.005 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.03 0 C-N-CA 127.038 2.135 . . . . 0.0 111.195 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 O-C-N 126.178 2.174 . . . . 0.0 110.457 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 125.363 1.465 . . . . 0.0 107.097 177.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.747 0 C-N-CA 126.559 1.944 . . . . 0.0 112.583 179.082 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.25 1.128 0 CA-C-N 113.204 -1.817 . . . . 0.0 111.468 -177.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.137 0 C-N-CA 123.789 0.835 . . . . 0.0 113.143 -179.099 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 104.119 -2.549 . . . . 0.0 104.119 177.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 104.839 -2.282 . . . . 0.0 104.839 178.624 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 128.51 3.631 . . . . 0.0 116.999 -175.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.584 4.376 0 N-CA-C 105.297 -3.121 . . . . 0.0 105.297 177.075 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.347 0 O-C-N 128.556 3.15 . . . . 0.0 106.499 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.829 0 C-N-CA 118.918 -1.113 . . . . 0.0 112.643 -177.591 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 177.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.828 0 CA-C-O 122.467 1.127 . . . . 0.0 108.083 176.451 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.298 0 C-N-CA 121.484 1.456 . . . . 0.0 111.92 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 177.029 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 105.349 -2.093 . . . . 0.0 105.349 177.508 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 122.803 1.287 . . . . 0.0 110.074 -176.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.185 0 CA-C-N 112.687 -2.051 . . . . 0.0 112.76 177.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.307 -1.244 0 CA-C-N 118.183 0.991 . . . . 0.0 110.769 179.482 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.451 -0.983 0 O-C-N 123.472 1.248 . . . . 0.0 111.654 177.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 103.153 -2.906 . . . . 0.0 103.153 179.36 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.306 -1.315 0 O-C-N 126.868 2.605 . . . . 0.0 112.199 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.702 0 N-CA-C 107.585 -1.737 . . . . 0.0 107.585 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.96 0 O-C-N 128.106 3.379 . . . . 0.0 102.971 178.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.99 0 CA-C-O 115.963 -1.97 . . . . 0.0 108.834 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.839 0 N-CA-C 104.079 -3.609 . . . . 0.0 104.079 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.506 0 CA-C-O 115.66 -2.114 . . . . 0.0 109.504 179.563 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.74 0 N-CA-C 103.666 -2.716 . . . . 0.0 103.666 -175.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.063 0 O-C-N 127.731 3.144 . . . . 0.0 113.515 -178.372 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 106.341 -1.725 . . . . 0.0 106.341 -178.068 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.927 0 O-C-N 126.298 2.248 . . . . 0.0 107.617 -178.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 120.652 -1.499 . . . . 0.0 110.271 179.286 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--N 1.303 -1.417 0 N-CA-C 100.626 -3.842 . . . . 0.0 100.626 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.305 0 CA-C-O 115.236 -2.068 . . . . 0.0 112.082 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.272 -2.777 0 CA-C-N 120.702 1.592 . . . . 0.0 109.535 177.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.276 2.464 0 CA-C-N 112.853 -1.976 . . . . 0.0 110.594 178.332 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.434 -1.273 0 O-C-N 120.956 -1.09 . . . . 0.0 110.406 178.558 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.163 0 O-C-N 125.796 1.935 . . . . 0.0 110.277 -178.341 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.289 -2.047 0 O-C-N 127.06 2.725 . . . . 0.0 107.049 178.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.484 -1.575 0 CA-C-O 122.18 0.99 . . . . 0.0 112.909 177.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.891 0 O-C-N 117.504 -3.248 . . . . 0.0 114.575 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.8 0 O-C-N 125.547 1.779 . . . . 0.0 108.169 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.299 -1.628 1 O-C-N 129.276 4.11 . . . . 0.0 109.748 179.165 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 120.037 -1.664 . . . . 0.0 111.853 179.089 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.513 0 C-N-CA 125.119 1.368 . . . . 0.0 112.802 178.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.073 0 C-N-CA 127.997 2.713 . . . . 0.0 114.336 -178.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.258 0 C-N-CA 128.257 2.623 . . . . 0.0 111.501 -179.235 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 C-N-CA 117.577 -1.649 . . . . 0.0 107.418 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.096 0 CA-C-O 117.261 -1.352 . . . . 0.0 109.013 -178.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.297 0 C-N-CA 122.875 2.383 . . . . 0.0 111.769 179.172 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.012 0 O-C-N 118.635 -2.541 . . . . 0.0 115.671 -178.399 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.065 0 C-N-CA 126.624 1.97 . . . . 0.0 110.892 174.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.506 -0.878 0 C-N-CA 123.452 2.768 . . . . 0.0 115.48 -176.114 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-N 121.276 1.853 . . . . 0.0 113.5 177.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 124.958 1.303 . . . . 0.0 108.04 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.832 0 C-N-CA 119.042 -1.063 . . . . 0.0 109.783 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.584 -0.697 . . . . 0.0 109.249 179.115 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 114.263 -1.335 . . . . 0.0 109.758 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-N 119.56 1.073 . . . . 0.0 111.944 -177.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-O 117.151 -1.404 . . . . 0.0 111.909 -178.039 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.256 1.444 0 CA-C-N 114.583 -1.19 . . . . 0.0 109.129 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-O 124.86 2.267 . . . . 0.0 109.43 178.31 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.041 0 CA-C-N 112.768 -2.015 . . . . 0.0 111.304 178.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.73 0 CA-C-N 121.147 1.794 . . . . 0.0 112.721 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.322 0 CA-C-O 118.478 -0.772 . . . . 0.0 112.268 -176.284 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 O-C-N 124.053 0.846 . . . . 0.0 109.091 -179.316 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-O 115.247 -2.311 . . . . 0.0 110.857 -178.077 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.309 -1.193 0 O-C-N 127.583 3.052 . . . . 0.0 111.032 179.004 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.792 0 C-N-CA 127.419 2.287 . . . . 0.0 113.727 -177.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 125.956 2.035 . . . . 0.0 112.188 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.255 1.41 0 CA-C-N 121.291 1.859 . . . . 0.0 114.809 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.578 0 C-N-CA 124.797 1.239 . . . . 0.0 111.4 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 178.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.307 -1.253 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 178.24 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 O-C-N 124.798 1.311 . . . . 0.0 110.058 -178.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-N 113.653 -1.612 . . . . 0.0 111.057 178.323 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 127.105 2.162 . . . . 0.0 112.496 -178.487 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 113.718 -1.583 . . . . 0.0 111.961 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 116.749 -1.596 . . . . 0.0 111.703 -178.327 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 126.535 2.397 . . . . 0.0 107.575 178.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.052 0 C-N-CA 126.429 1.892 . . . . 0.0 113.12 179.282 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.129 -0.942 . . . . 0.0 109.619 -179.196 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.174 0 O-C-N 124.464 1.103 . . . . 0.0 108.181 178.167 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-O 116.57 -1.681 . . . . 0.0 112.088 179.079 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.526 0 N-CA-C 115.916 1.821 . . . . 0.0 115.916 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.688 0 O-C-N 124.459 1.099 . . . . 0.0 111.147 -177.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.309 -1.158 0 O-C-N 125.515 1.759 . . . . 0.0 111.349 -178.675 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.074 0 C-N-CA 127.296 2.239 . . . . 0.0 107.431 179.119 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 500' ' ' MXT . . . . . 0.905 ' O11' H231 ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 600' ' ' MXT . . . . . 0.891 ' O11' H231 ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.705 ' O ' ' O11' ' A' ' 500' ' ' MXT . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.681 ' C ' ' C12' ' A' ' 500' ' ' MXT . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 1.277 ' N ' H122 ' A' ' 500' ' ' MXT . 1.3 m -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.876 ' H ' H121 ' A' ' 500' ' ' MXT . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.312 0 O-C-N 125.664 1.852 . . . . 0.0 106.842 166.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.754 1 O-C-N 129.18 4.253 . . . . 0.0 107.992 -174.254 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.91 0 CA-C-N 121.007 1.73 . . . . 0.0 112.597 -178.079 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.197 0 CA-C-N 114.228 -1.351 . . . . 0.0 110.898 -176.487 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.166 0 C-N-CA 126.956 2.103 . . . . 0.0 110.242 -177.07 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.453 0 O-C-N 120.857 -1.152 . . . . 0.0 109.807 177.62 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.26 1.609 0 N-CA-C 105.978 -1.86 . . . . 0.0 105.978 -176.476 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 127.141 2.776 . . . . 0.0 107.812 178.439 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.769 0 CA-C-O 115.449 -2.215 . . . . 0.0 106.413 178.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.544 1 O-C-N 130.689 4.993 . . . . 0.0 106.324 177.264 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.133 0 CA-C-O 113.7 -3.048 . . . . 0.0 105.883 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.46 0 CA-C-N 121.168 1.804 . . . . 0.0 110.041 -177.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.799 0 O-C-N 125.877 1.986 . . . . 0.0 105.79 -176.581 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.375 0 O-C-N 127.542 3.026 . . . . 0.0 112.724 -176.316 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.951 0 O-C-N 127.153 2.783 . . . . 0.0 112.263 177.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.314 -0.945 0 O-C-N 119.097 -2.252 . . . . 0.0 111.925 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.331 -0.198 0 O-C-N 126.625 2.453 . . . . 0.0 109.717 -174.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.325 -0.699 0 C-N-CA 124.664 3.576 . . . . 0.0 111.908 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.833 0 CA-C-N 111.747 -2.479 . . . . 0.0 106.786 179.159 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.273 0 O-C-N 127.52 3.379 . . . . 0.0 107.902 179.014 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.329 -0.49 0 CA-C-O 116.139 -1.692 . . . . 0.0 108.324 178.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.607 0 O-C-N 127.068 2.73 . . . . 0.0 112.152 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -2.0 0 C-N-CA 126.797 2.039 . . . . 0.0 114.862 -174.413 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.568 1.667 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 174.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.303 0 C-N-CA 125.071 1.348 . . . . 0.0 113.621 -175.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.257 1.46 0 CA-C-O 117.403 -1.284 . . . . 0.0 112.789 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.313 0 CA-C-N 121.779 2.082 . . . . 0.0 114.929 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.311 -1.442 0 C-N-CA 122.155 1.904 . . . . 0.0 113.372 178.062 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.893 0 C-N-CA 129.767 3.227 . . . . 0.0 112.251 178.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.045 0 O-C-N 119.384 -2.072 . . . . 0.0 109.517 177.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.559 1.314 0 CA-C-O 115.59 -2.148 . . . . 0.0 109.247 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 127.366 2.916 . . . . 0.0 109.42 179.604 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.223 0 O-C-N 120.309 -1.494 . . . . 0.0 112.881 177.177 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-O 122.036 0.922 . . . . 0.0 113.372 179.039 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.269 0 C-N-CA 126.509 1.924 . . . . 0.0 109.253 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 125.061 1.476 . . . . 0.0 110.222 175.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.14 0 C-N-CA 127.056 2.143 . . . . 0.0 114.62 178.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 1.991 0 CA-C-O 117.068 -1.962 . . . . 0.0 112.36 178.455 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 118.156 0.978 . . . . 0.0 108.519 179.287 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 176.046 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.941 0 C-N-CA 123.913 0.885 . . . . 0.0 112.852 -179.453 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.457 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 -175.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.31 -1.117 0 C-N-CA 124.998 1.319 . . . . 0.0 108.067 175.066 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 177.228 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.928 0 CA-C-N 114.285 -1.325 . . . . 0.0 110.129 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-O 115.963 -1.97 . . . . 0.0 112.337 178.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.58 0 N-CA-C 116.586 2.069 . . . . 0.0 116.586 -174.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.6 0 CA-C-O 122.756 1.265 . . . . 0.0 112.281 -178.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.448 -1.178 0 C-N-CA 122.367 2.045 . . . . 0.0 115.072 -179.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 107.472 -1.307 . . . . 0.0 107.472 177.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.436 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 178.321 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.497 -1.095 0 O-C-N 118.272 -2.768 . . . . 0.0 114.674 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.255 1.361 0 N-CA-C 115.951 1.834 . . . . 0.0 115.951 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.062 0 CA-C-N 120.306 1.145 . . . . 0.0 114.91 -179.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.266 1.026 . . . . 0.0 112.02 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 O-C-N 125.132 1.52 . . . . 0.0 111.445 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.255 1.368 0 N-CA-C 116.894 2.183 . . . . 0.0 116.894 179.14 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 127.663 2.385 . . . . 0.0 115.58 -178.115 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.246 0.897 0 N-CA-C 117.129 2.27 . . . . 0.0 117.129 -178.566 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.482 -2.018 0 CA-C-O 115.725 -2.708 . . . . 0.0 118.859 177.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.946 0 CA-C-N 124.109 3.955 . . . . 0.0 111.347 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-O 115.605 -2.141 . . . . 0.0 106.29 177.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.527 0 O-C-N 125.481 1.738 . . . . 0.0 107.682 -178.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.451 0 O-C-N 125.86 1.975 . . . . 0.0 111.496 -179.647 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-O 122.088 0.947 . . . . 0.0 110.726 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.064 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.266 1.939 0 O-C-N 126.026 2.078 . . . . 0.0 116.211 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.772 0 CA-C-O 117.915 -1.04 . . . . 0.0 112.605 -178.228 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 1.967 0 N-CA-C 107.793 -2.123 . . . . 0.0 107.793 -178.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 125.299 2.476 . . . . 0.0 112.66 -177.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.246 0.872 0 CA-C-N 110.909 -2.859 . . . . 0.0 110.414 179.23 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 126.35 2.281 . . . . 0.0 105.453 176.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.393 0 N-CA-C 117.837 2.532 . . . . 0.0 117.837 -176.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 178.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 103.816 -2.661 . . . . 0.0 103.816 177.039 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 CA-C-N 111.961 -2.381 . . . . 0.0 108.062 -179.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.323 0 N-CA-C 118.505 2.162 . . . . 0.0 118.505 -178.174 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.702 0 O-C-N 121.474 -1.015 . . . . 0.0 112.218 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.685 0 O-C-N 123.685 0.616 . . . . 0.0 112.633 -177.196 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-O 124.192 1.948 . . . . 0.0 110.087 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.886 0 CA-C-N 113.444 -1.707 . . . . 0.0 108.377 -178.406 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.463 0.491 0 CA-C-N 114.005 -1.452 . . . . 0.0 110.194 179.282 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 124.814 0.95 . . . . 0.0 109.984 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.247 0.965 0 CA-C-N 114.376 -1.284 . . . . 0.0 109.4 179.301 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.184 0 O-C-N 124.565 1.166 . . . . 0.0 110.201 178.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.812 0 N-CA-C 119.06 2.384 . . . . 0.0 119.06 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.829 0 O-C-N 120.901 -1.352 . . . . 0.0 109.118 179.447 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 107.092 -1.448 . . . . 0.0 107.092 178.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.266 1.935 0 O-C-N 125.67 1.856 . . . . 0.0 110.252 179.138 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.331 0.586 . . . . 0.0 111.852 -179.139 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 115.755 -2.069 . . . . 0.0 108.814 -177.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.892 0 O-C-N 127.229 2.83 . . . . 0.0 110.404 178.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 117.615 -1.183 . . . . 0.0 109.54 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 O-C-N 128.162 3.414 . . . . 0.0 112.847 -177.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.27 0 O-C-N 125.124 1.515 . . . . 0.0 111.686 -178.044 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 123.875 0.87 . . . . 0.0 110.228 178.241 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.292 -1.929 0 N-CA-C 118.058 2.614 . . . . 0.0 118.058 175.687 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.313 -1.021 0 C-N-CA 124.089 0.956 . . . . 0.0 109.054 177.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 127.43 2.956 . . . . 0.0 111.366 -177.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 130.028 3.331 . . . . 0.0 108.972 178.36 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.93 0 O-C-N 126.774 2.546 . . . . 0.0 113.796 -178.185 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -178.386 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 124.748 1.28 . . . . 0.0 109.999 178.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.303 -1.419 0 C-N-CA 124.042 0.937 . . . . 0.0 109.143 179.061 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.868 0 C-N-CA 123.516 0.726 . . . . 0.0 112.734 -178.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-O 116.955 -1.497 . . . . 0.0 110.959 -177.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.668 0 CA-C-O 116.767 -1.587 . . . . 0.0 110.699 -176.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.151 0 CA-C-N 119.521 1.055 . . . . 0.0 112.881 -178.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 124.909 1.284 . . . . 0.0 111.726 -178.501 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 125.02 1.45 . . . . 0.0 108.274 -179.574 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 126.564 2.415 . . . . 0.0 111.618 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.002 0 C-N-CA 120.153 -0.619 . . . . 0.0 110.52 177.554 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 -177.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 125.652 1.581 . . . . 0.0 111.262 177.411 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.465 0.632 0 O-C-N 121.344 -0.847 . . . . 0.0 114.29 -179.385 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 179.224 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 119.863 -1.773 . . . . 0.0 109.693 -179.394 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.44 -0.938 0 N-CA-C 116.408 2.003 . . . . 0.0 116.408 -176.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.306 -1.313 0 O-C-N 125.253 1.596 . . . . 0.0 110.337 -176.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 112.549 -2.114 . . . . 0.0 108.288 176.039 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 N-CA-C 104.509 -2.404 . . . . 0.0 104.509 178.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 125.379 1.674 . . . . 0.0 108.275 -177.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.262 0 O-C-N 125.923 2.014 . . . . 0.0 110.987 -175.576 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.457 0 O-C-N 126.276 2.724 . . . . 0.0 115.034 -176.492 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 120.406 -1.434 . . . . 0.0 113.821 177.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.382 0 N-CA-C 115.579 1.696 . . . . 0.0 115.579 -177.006 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.264 1.844 0 CA-C-O 115.097 -2.382 . . . . 0.0 112.745 -178.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.634 0 CA-C-N 120.959 1.709 . . . . 0.0 114.824 -177.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.026 0 C-N-CA 127.017 2.127 . . . . 0.0 111.163 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 O-C-N 126.287 2.242 . . . . 0.0 110.479 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 125.361 1.465 . . . . 0.0 107.067 177.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.729 0 C-N-CA 126.604 1.962 . . . . 0.0 112.587 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.252 1.187 0 CA-C-N 113.21 -1.814 . . . . 0.0 111.416 -177.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.309 -1.157 0 C-N-CA 123.876 0.87 . . . . 0.0 113.174 -179.076 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 104.158 -2.534 . . . . 0.0 104.158 177.45 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 104.835 -2.283 . . . . 0.0 104.835 178.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 128.498 3.624 . . . . 0.0 116.992 -175.601 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.334 0 N-CA-C 105.295 -3.122 . . . . 0.0 105.295 177.087 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.273 2.331 0 O-C-N 128.507 3.121 . . . . 0.0 106.524 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.822 0 C-N-CA 118.916 -1.114 . . . . 0.0 112.694 -177.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.77 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 177.556 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.839 0 CA-C-O 122.434 1.111 . . . . 0.0 108.125 176.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.302 0 C-N-CA 121.516 1.477 . . . . 0.0 111.851 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 177.018 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 105.289 -2.115 . . . . 0.0 105.289 177.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 122.811 1.291 . . . . 0.0 110.093 -176.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.25 1.143 0 CA-C-N 112.679 -2.055 . . . . 0.0 112.785 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.309 -1.191 0 CA-C-N 118.187 0.993 . . . . 0.0 110.776 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.951 0 O-C-N 123.492 1.259 . . . . 0.0 111.662 177.424 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 103.169 -2.9 . . . . 0.0 103.169 178.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.335 0 O-C-N 126.858 2.599 . . . . 0.0 112.264 -178.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.679 0 N-CA-C 107.572 -1.742 . . . . 0.0 107.572 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.971 0 O-C-N 128.129 3.393 . . . . 0.0 102.979 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.266 1.939 0 CA-C-O 115.954 -1.974 . . . . 0.0 108.786 -178.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.544 1.862 0 N-CA-C 104.089 -3.604 . . . . 0.0 104.089 179.084 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.257 1.486 0 CA-C-O 115.693 -2.099 . . . . 0.0 109.505 -176.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.746 0 N-CA-C 103.699 -2.704 . . . . 0.0 103.699 -179.289 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.498 -1.048 0 O-C-N 127.768 3.168 . . . . 0.0 113.532 -179.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 106.409 -1.7 . . . . 0.0 106.409 -177.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.501 2.968 0 O-C-N 126.288 2.242 . . . . 0.0 107.575 -179.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.087 -2.419 . . . . 0.0 110.271 -177.41 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.309 0 N-CA-C 100.649 -3.834 . . . . 0.0 100.649 -175.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.265 0 CA-C-O 115.226 -2.072 . . . . 0.0 112.109 177.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.813 0 CA-C-N 120.716 1.598 . . . . 0.0 109.601 177.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.423 0 CA-C-N 112.795 -2.002 . . . . 0.0 110.618 178.307 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.434 -1.257 0 O-C-N 120.949 -1.094 . . . . 0.0 110.427 178.529 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.159 0 O-C-N 125.816 1.947 . . . . 0.0 110.276 -178.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.089 0 O-C-N 127.029 2.706 . . . . 0.0 107.038 178.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.625 0 CA-C-O 122.202 1.001 . . . . 0.0 112.972 177.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.901 0 O-C-N 117.463 -3.273 . . . . 0.0 114.553 179.661 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.814 0 O-C-N 125.649 1.843 . . . . 0.0 108.145 179.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.565 1 O-C-N 129.224 4.077 . . . . 0.0 109.741 179.198 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 120.066 -1.646 . . . . 0.0 111.842 179.109 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.302 -1.497 0 C-N-CA 125.096 1.358 . . . . 0.0 112.714 178.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.059 0 C-N-CA 127.995 2.712 . . . . 0.0 114.327 -178.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.273 2.333 0 C-N-CA 128.266 2.626 . . . . 0.0 111.501 -178.375 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 C-N-CA 117.633 -1.627 . . . . 0.0 107.392 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.09 0 CA-C-O 117.293 -1.336 . . . . 0.0 109.017 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.307 0 C-N-CA 122.874 2.383 . . . . 0.0 111.75 179.232 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.011 0 O-C-N 118.655 -2.528 . . . . 0.0 115.693 -177.428 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.033 0 C-N-CA 126.597 1.959 . . . . 0.0 110.917 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.947 0 C-N-CA 123.394 2.73 . . . . 0.0 115.473 178.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.684 0 CA-C-N 121.319 1.872 . . . . 0.0 113.483 177.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 124.977 1.311 . . . . 0.0 108.017 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.848 0 C-N-CA 119.079 -1.049 . . . . 0.0 109.754 179.096 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.576 -0.703 . . . . 0.0 109.287 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 114.216 -1.356 . . . . 0.0 109.749 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 119.588 1.085 . . . . 0.0 111.946 -177.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-O 117.096 -1.431 . . . . 0.0 111.855 -178.037 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.289 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 -178.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.258 1.51 0 CA-C-N 114.588 -1.187 . . . . 0.0 109.157 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-O 124.877 2.275 . . . . 0.0 109.422 178.332 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.034 0 CA-C-N 112.716 -2.038 . . . . 0.0 111.294 178.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.736 0 CA-C-N 121.16 1.8 . . . . 0.0 112.759 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.253 1.285 0 CA-C-O 118.486 -0.768 . . . . 0.0 112.283 -176.289 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 O-C-N 124.064 0.853 . . . . 0.0 109.092 -179.319 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-O 115.233 -2.318 . . . . 0.0 110.927 -178.114 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.201 0 O-C-N 127.581 3.051 . . . . 0.0 111.035 178.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.294 -1.815 0 C-N-CA 127.412 2.285 . . . . 0.0 113.737 -177.138 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 125.986 2.054 . . . . 0.0 112.22 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.361 0 CA-C-N 121.306 1.866 . . . . 0.0 114.838 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.569 0 C-N-CA 124.757 1.223 . . . . 0.0 111.425 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 178.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.307 -1.247 0 N-CA-C 107.305 -1.368 . . . . 0.0 107.305 178.24 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 O-C-N 124.811 1.319 . . . . 0.0 110.007 -178.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-N 113.638 -1.619 . . . . 0.0 111.073 178.344 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 127.126 2.17 . . . . 0.0 112.535 -178.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 113.722 -1.581 . . . . 0.0 111.933 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.243 0.726 0 CA-C-O 116.755 -1.593 . . . . 0.0 111.658 -178.285 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 126.479 2.362 . . . . 0.0 107.528 178.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.047 0 C-N-CA 126.377 1.871 . . . . 0.0 113.16 179.282 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.603 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.308 -1.212 0 O-C-N 124.42 1.075 . . . . 0.0 108.214 178.145 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-O 116.525 -1.702 . . . . 0.0 112.149 179.015 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.513 0 N-CA-C 115.888 1.81 . . . . 0.0 115.888 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 O-C-N 124.479 1.112 . . . . 0.0 111.116 -177.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.311 -1.099 0 O-C-N 125.473 1.733 . . . . 0.0 111.373 -178.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.091 0 C-N-CA 127.311 2.244 . . . . 0.0 107.414 179.159 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 500' ' ' MXT . . . . . 1.277 H122 ' N ' ' A' ' 41' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 600' ' ' MXT . . . . . 0.717 H231 ' O12' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.514 ' HA ' H111 ' A' ' 500' ' ' MXT . 0.0 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 1.06 ' H ' H122 ' A' ' 500' ' ' MXT . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.506 2.329 0 O-C-N 125.664 1.852 . . . . 0.0 106.832 172.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.741 1 O-C-N 129.233 4.281 . . . . 0.0 108.028 -177.141 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.912 0 CA-C-N 121.048 1.749 . . . . 0.0 112.618 -178.261 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.195 0 CA-C-N 114.22 -1.355 . . . . 0.0 110.886 -178.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.172 0 C-N-CA 126.972 2.109 . . . . 0.0 110.178 -177.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.465 0 O-C-N 120.889 -1.132 . . . . 0.0 109.855 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.58 0 N-CA-C 105.883 -1.895 . . . . 0.0 105.883 -177.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 127.148 2.78 . . . . 0.0 107.866 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.759 0 CA-C-O 115.414 -2.232 . . . . 0.0 106.469 177.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.557 1 O-C-N 130.702 5.001 . . . . 0.0 106.288 178.157 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.109 0 CA-C-O 113.72 -3.038 . . . . 0.0 105.88 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-N 121.153 1.797 . . . . 0.0 110.058 -177.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.785 0 O-C-N 125.857 1.973 . . . . 0.0 105.8 -176.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.254 1.302 0 O-C-N 127.497 2.998 . . . . 0.0 112.807 -176.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.965 0 O-C-N 127.201 2.813 . . . . 0.0 112.281 177.651 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 122.134 2.243 . . . . 0.0 111.938 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.332 -0.172 0 O-C-N 126.606 2.441 . . . . 0.0 109.676 -174.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.323 -0.764 0 C-N-CA 124.702 3.602 . . . . 0.0 111.967 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.475 0.814 0 CA-C-N 111.712 -2.495 . . . . 0.0 106.786 179.125 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.265 0 O-C-N 127.514 3.376 . . . . 0.0 107.933 178.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.505 0 CA-C-O 116.155 -1.685 . . . . 0.0 108.335 178.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.606 0 O-C-N 127.065 2.728 . . . . 0.0 112.145 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.989 0 C-N-CA 126.762 2.025 . . . . 0.0 114.931 -174.471 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.688 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 175.052 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.298 0 O-C-N 124.897 1.373 . . . . 0.0 113.677 -175.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.255 1.391 0 CA-C-O 117.439 -1.267 . . . . 0.0 112.819 -179.438 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.253 1.267 0 CA-C-N 121.704 2.047 . . . . 0.0 114.936 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.311 -1.443 0 C-N-CA 122.103 1.869 . . . . 0.0 113.309 178.073 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.293 -1.887 0 C-N-CA 129.787 3.235 . . . . 0.0 112.285 178.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.311 -1.066 0 O-C-N 119.427 -2.046 . . . . 0.0 109.527 177.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.346 0 CA-C-O 115.604 -2.141 . . . . 0.0 109.232 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 127.415 2.947 . . . . 0.0 109.375 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.195 0 O-C-N 120.345 -1.472 . . . . 0.0 112.882 177.195 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-O 122.061 0.934 . . . . 0.0 113.368 179.041 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.253 0 C-N-CA 126.49 1.916 . . . . 0.0 109.251 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 125.104 1.503 . . . . 0.0 110.212 175.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.271 2.19 0 C-N-CA 127.134 2.174 . . . . 0.0 114.556 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 1.987 0 CA-C-O 117.053 -1.97 . . . . 0.0 112.376 178.496 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-N 118.142 0.971 . . . . 0.0 108.48 179.314 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 176.008 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.947 0 C-N-CA 123.931 0.892 . . . . 0.0 112.883 -179.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.461 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 -175.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.085 0 C-N-CA 124.976 1.31 . . . . 0.0 108.088 175.086 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 177.268 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.953 0 CA-C-N 114.288 -1.324 . . . . 0.0 110.055 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-O 115.974 -1.965 . . . . 0.0 112.324 178.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.564 0 N-CA-C 116.566 2.061 . . . . 0.0 116.566 -174.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.578 0 CA-C-O 122.734 1.254 . . . . 0.0 112.28 -178.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 122.371 2.048 . . . . 0.0 115.121 -179.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 177.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.439 0 N-CA-C 115.172 1.545 . . . . 0.0 115.172 178.336 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.118 0 O-C-N 118.348 -2.72 . . . . 0.0 114.677 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.292 0 N-CA-C 115.963 1.838 . . . . 0.0 115.963 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.028 0 CA-C-N 120.265 1.13 . . . . 0.0 114.849 -179.587 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.25 1.02 . . . . 0.0 112.028 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 O-C-N 125.116 1.51 . . . . 0.0 111.473 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.317 0 N-CA-C 116.94 2.2 . . . . 0.0 116.94 179.088 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 127.62 2.368 . . . . 0.0 115.573 -178.145 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.839 0 N-CA-C 117.103 2.26 . . . . 0.0 117.103 -178.535 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.057 0 CA-C-O 115.683 -2.732 . . . . 0.0 118.894 177.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.29 -1.988 0 CA-C-N 124.147 3.973 . . . . 0.0 111.363 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-O 115.626 -2.131 . . . . 0.0 106.292 177.513 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.524 0 O-C-N 125.497 1.748 . . . . 0.0 107.622 -178.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.487 0 O-C-N 125.774 1.921 . . . . 0.0 111.45 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-O 122.103 0.954 . . . . 0.0 110.741 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.248 1.007 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.268 2.03 0 O-C-N 126.064 2.103 . . . . 0.0 116.166 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.262 1.758 0 CA-C-O 117.944 -1.027 . . . . 0.0 112.616 -178.275 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.485 1.914 0 N-CA-C 107.823 -2.111 . . . . 0.0 107.823 -178.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 125.32 2.486 . . . . 0.0 112.641 -177.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.829 0 CA-C-N 110.913 -2.858 . . . . 0.0 110.394 179.175 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.314 -0.974 0 O-C-N 126.376 2.298 . . . . 0.0 105.405 176.609 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.399 0 N-CA-C 117.786 2.513 . . . . 0.0 117.786 -176.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 178.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 103.837 -2.653 . . . . 0.0 103.837 177.045 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 CA-C-N 111.958 -2.383 . . . . 0.0 108.029 -179.353 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.292 0 N-CA-C 118.541 2.176 . . . . 0.0 118.541 -178.228 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.243 0.714 0 O-C-N 121.448 -1.03 . . . . 0.0 112.272 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.642 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -177.223 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-O 124.207 1.956 . . . . 0.0 110.08 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.912 0 CA-C-N 113.452 -1.703 . . . . 0.0 108.363 -178.39 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.464 0.505 0 CA-C-N 114.029 -1.441 . . . . 0.0 110.185 179.28 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 124.829 0.958 . . . . 0.0 110.008 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.974 0 CA-C-N 114.355 -1.293 . . . . 0.0 109.379 179.262 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.187 0 O-C-N 124.491 1.119 . . . . 0.0 110.197 178.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 CA--C 1.501 -0.824 0 N-CA-C 119.08 2.392 . . . . 0.0 119.08 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.822 0 O-C-N 120.892 -1.358 . . . . 0.0 109.059 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 107.073 -1.455 . . . . 0.0 107.073 178.614 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.912 0 O-C-N 125.64 1.838 . . . . 0.0 110.285 179.129 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.327 0.584 . . . . 0.0 111.879 -179.156 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 115.662 -2.113 . . . . 0.0 108.775 -177.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.934 0 O-C-N 127.28 2.863 . . . . 0.0 110.369 178.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 117.672 -1.156 . . . . 0.0 109.596 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 O-C-N 128.128 3.393 . . . . 0.0 112.816 -177.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.278 0 O-C-N 125.076 1.485 . . . . 0.0 111.756 -178.078 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 123.878 0.871 . . . . 0.0 110.178 178.255 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.942 0 N-CA-C 118.029 2.603 . . . . 0.0 118.029 175.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.037 0 C-N-CA 124.132 0.973 . . . . 0.0 109.116 177.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 127.404 2.94 . . . . 0.0 111.405 -177.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 129.985 3.314 . . . . 0.0 108.963 178.317 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.246 0.889 0 O-C-N 126.788 2.555 . . . . 0.0 113.809 -178.153 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 -178.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 124.764 1.29 . . . . 0.0 109.984 178.487 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.382 0 C-N-CA 124.061 0.944 . . . . 0.0 109.194 179.029 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.315 -0.917 0 O-C-N 123.835 0.709 . . . . 0.0 112.692 -178.426 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 1 C--O 15.156 732.995 1 CA-C-O 101.629 -8.796 . . . . 0.0 111.005 -177.862 . . . . . . . . 4 3 . 1 . 019 nuclear build full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.664 1 O-C-N 58.271 -40.268 . . . . 0.0 110.697 -176.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.158 0 CA-C-N 119.533 1.06 . . . . 0.0 112.875 -178.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.431 -1.406 0 C-N-CA 124.918 1.287 . . . . 0.0 111.698 -178.523 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 125.053 1.471 . . . . 0.0 108.264 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.743 0 O-C-N 126.572 2.42 . . . . 0.0 111.625 -178.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.249 1.054 0 C-N-CA 120.132 -0.627 . . . . 0.0 110.522 177.58 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 114.347 1.24 . . . . 0.0 114.347 -177.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.508 0 C-N-CA 125.643 1.577 . . . . 0.0 111.277 177.351 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.466 0.694 0 O-C-N 121.336 -0.853 . . . . 0.0 114.276 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.616 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.322 -0.628 0 O-C-N 119.881 -1.762 . . . . 0.0 109.668 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 116.374 1.99 . . . . 0.0 116.374 -176.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 125.239 1.587 . . . . 0.0 110.278 -176.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 112.499 -2.137 . . . . 0.0 108.32 176.046 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 N-CA-C 104.528 -2.397 . . . . 0.0 104.528 178.469 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 125.424 1.702 . . . . 0.0 108.312 -177.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.273 0 O-C-N 125.874 1.984 . . . . 0.0 110.994 -175.534 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.469 0 O-C-N 126.292 2.733 . . . . 0.0 115.028 -176.519 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.527 0 O-C-N 120.39 -1.444 . . . . 0.0 113.821 177.702 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.39 0 N-CA-C 115.615 1.709 . . . . 0.0 115.615 -177.013 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--N 1.294 -1.829 0 CA-C-O 115.046 -2.407 . . . . 0.0 112.773 -178.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.606 0 CA-C-N 120.918 1.69 . . . . 0.0 114.852 -178.01 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.049 0 C-N-CA 127.006 2.123 . . . . 0.0 111.227 -179.553 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 126.196 2.185 . . . . 0.0 110.47 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 177.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.732 0 C-N-CA 126.624 1.969 . . . . 0.0 112.578 179.009 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.182 0 CA-C-N 113.223 -1.808 . . . . 0.0 111.429 -177.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.115 0 C-N-CA 123.84 0.856 . . . . 0.0 113.156 -179.069 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 104.192 -2.521 . . . . 0.0 104.192 177.412 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 104.848 -2.278 . . . . 0.0 104.848 178.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 128.497 3.623 . . . . 0.0 116.983 -175.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.326 0 N-CA-C 105.333 -3.107 . . . . 0.0 105.333 177.064 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.38 0 O-C-N 128.543 3.143 . . . . 0.0 106.524 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.846 0 C-N-CA 118.988 -1.085 . . . . 0.0 112.713 -177.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.567 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.839 0 CA-C-O 122.458 1.123 . . . . 0.0 108.089 176.426 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 121.475 1.45 . . . . 0.0 111.841 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 177.008 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 105.37 -2.085 . . . . 0.0 105.37 177.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 122.753 1.263 . . . . 0.0 110.138 -176.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.163 0 CA-C-N 112.629 -2.078 . . . . 0.0 112.783 179.527 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.309 -1.169 0 CA-C-N 118.213 1.007 . . . . 0.0 110.724 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.949 0 O-C-N 123.483 1.254 . . . . 0.0 111.644 177.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.021 0 N-CA-C 103.179 -2.897 . . . . 0.0 103.179 178.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.329 0 O-C-N 126.841 2.588 . . . . 0.0 112.22 -178.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.44 -1.666 0 N-CA-C 107.562 -1.745 . . . . 0.0 107.562 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.962 0 O-C-N 128.159 3.412 . . . . 0.0 102.973 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.266 1.968 0 CA-C-O 116.001 -1.952 . . . . 0.0 108.793 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.544 1.864 0 N-CA-C 104.072 -3.611 . . . . 0.0 104.072 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.257 1.499 0 CA-C-O 115.659 -2.115 . . . . 0.0 109.495 -178.469 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.718 0 N-CA-C 103.692 -2.707 . . . . 0.0 103.692 -179.119 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.498 -1.037 0 O-C-N 127.752 3.158 . . . . 0.0 113.509 -177.241 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 106.321 -1.733 . . . . 0.0 106.321 -178.396 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.907 0 O-C-N 126.254 2.221 . . . . 0.0 107.647 -179.076 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.448 -2.207 . . . . 0.0 110.271 -176.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.334 0 N-CA-C 100.637 -3.838 . . . . 0.0 100.637 179.128 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.294 0 CA-C-O 115.241 -2.066 . . . . 0.0 112.111 -179.569 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.809 0 CA-C-N 120.715 1.598 . . . . 0.0 109.593 177.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.274 2.388 0 CA-C-N 112.842 -1.981 . . . . 0.0 110.6 178.328 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.305 0 O-C-N 120.903 -1.123 . . . . 0.0 110.424 178.55 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.164 0 O-C-N 125.797 1.935 . . . . 0.0 110.232 -178.334 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.289 -2.059 0 O-C-N 127.015 2.697 . . . . 0.0 107.088 178.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.609 0 CA-C-O 122.205 1.002 . . . . 0.0 112.903 177.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.905 0 O-C-N 117.48 -3.263 . . . . 0.0 114.594 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.816 0 O-C-N 125.564 1.79 . . . . 0.0 108.117 179.478 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.299 -1.6 1 O-C-N 129.249 4.093 . . . . 0.0 109.805 179.177 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 120.081 -1.637 . . . . 0.0 111.844 179.09 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 125.112 1.365 . . . . 0.0 112.761 178.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.034 0 C-N-CA 128.0 2.714 . . . . 0.0 114.286 -179.143 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.273 2.298 0 C-N-CA 128.254 2.622 . . . . 0.0 111.518 -178.49 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 C-N-CA 117.581 -1.648 . . . . 0.0 107.374 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.287 -2.116 0 CA-C-O 117.288 -1.339 . . . . 0.0 108.982 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.308 0 C-N-CA 122.848 2.365 . . . . 0.0 111.754 178.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.249 1.044 0 O-C-N 118.608 -2.557 . . . . 0.0 115.692 -177.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.033 0 C-N-CA 126.625 1.97 . . . . 0.0 110.913 178.683 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.943 0 C-N-CA 123.397 2.731 . . . . 0.0 115.488 178.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-N 121.32 1.873 . . . . 0.0 113.47 177.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 124.955 1.302 . . . . 0.0 107.991 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.817 0 C-N-CA 119.102 -1.039 . . . . 0.0 109.749 179.146 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.588 -0.695 . . . . 0.0 109.312 179.102 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 114.214 -1.357 . . . . 0.0 109.759 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.295 0 CA-C-N 119.543 1.065 . . . . 0.0 111.89 -177.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 117.087 -1.435 . . . . 0.0 111.862 -178.009 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 -178.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.469 0 CA-C-N 114.581 -1.19 . . . . 0.0 109.151 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-O 124.924 2.297 . . . . 0.0 109.444 178.324 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.049 0 CA-C-N 112.748 -2.024 . . . . 0.0 111.32 178.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.747 0 CA-C-N 121.145 1.793 . . . . 0.0 112.752 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.253 1.268 0 CA-C-O 118.445 -0.788 . . . . 0.0 112.288 -176.307 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 O-C-N 124.132 0.895 . . . . 0.0 109.081 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-O 115.185 -2.34 . . . . 0.0 110.914 -178.162 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.234 0 O-C-N 127.602 3.063 . . . . 0.0 111.014 178.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.788 0 C-N-CA 127.363 2.265 . . . . 0.0 113.755 -177.097 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 125.982 2.051 . . . . 0.0 112.213 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.352 0 CA-C-N 121.329 1.877 . . . . 0.0 114.806 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.576 0 C-N-CA 124.796 1.239 . . . . 0.0 111.413 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 178.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.234 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 178.243 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 O-C-N 124.832 1.332 . . . . 0.0 110.034 -178.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 113.688 -1.596 . . . . 0.0 111.045 178.325 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 127.123 2.169 . . . . 0.0 112.531 -178.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 113.677 -1.602 . . . . 0.0 111.968 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-O 116.718 -1.61 . . . . 0.0 111.695 -178.308 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 126.579 2.424 . . . . 0.0 107.537 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.05 0 C-N-CA 126.426 1.89 . . . . 0.0 113.153 179.258 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.621 -179.208 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.186 0 O-C-N 124.438 1.087 . . . . 0.0 108.164 178.192 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-O 116.55 -1.691 . . . . 0.0 112.104 179.069 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.518 0 N-CA-C 115.924 1.824 . . . . 0.0 115.924 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 O-C-N 124.459 1.099 . . . . 0.0 111.102 -177.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.134 0 O-C-N 125.457 1.723 . . . . 0.0 111.352 -178.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.085 0 C-N-CA 127.23 2.212 . . . . 0.0 107.473 179.146 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 500' ' ' MXT . . . . . 1.06 H122 ' H ' ' A' ' 42' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 600' ' ' MXT . . . . . 0.755 ' O12' H231 ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.614 ' C ' H111 ' A' ' 500' ' ' MXT . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 1.161 ' N ' H111 ' A' ' 500' ' ' MXT . 0.8 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.303 0 O-C-N 125.664 1.852 . . . . 0.0 106.868 173.268 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.731 1 O-C-N 129.187 4.256 . . . . 0.0 107.962 -177.726 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.908 0 CA-C-N 120.994 1.725 . . . . 0.0 112.6 -178.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.502 2.168 0 CA-C-N 114.26 -1.336 . . . . 0.0 110.945 -179.433 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.222 0 C-N-CA 126.982 2.113 . . . . 0.0 110.255 -177.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.454 0 O-C-N 120.835 -1.166 . . . . 0.0 109.819 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.566 0 N-CA-C 105.896 -1.89 . . . . 0.0 105.896 -177.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 127.15 2.781 . . . . 0.0 107.831 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.785 0 CA-C-O 115.47 -2.205 . . . . 0.0 106.403 177.572 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.571 1 O-C-N 130.666 4.979 . . . . 0.0 106.285 178.41 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.162 0 CA-C-O 113.736 -3.03 . . . . 0.0 105.838 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-N 121.12 1.782 . . . . 0.0 110.048 -177.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.774 0 O-C-N 125.864 1.977 . . . . 0.0 105.783 -176.601 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.362 0 O-C-N 127.494 2.996 . . . . 0.0 112.79 -176.368 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.267 1.975 0 O-C-N 127.166 2.792 . . . . 0.0 112.267 177.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 122.154 2.252 . . . . 0.0 111.951 -179.67 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--O 1.225 -0.216 0 O-C-N 126.64 2.462 . . . . 0.0 109.734 -174.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.739 0 C-N-CA 124.652 3.568 . . . . 0.0 111.945 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.855 0 CA-C-N 111.717 -2.492 . . . . 0.0 106.76 179.115 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.267 0 O-C-N 127.517 3.377 . . . . 0.0 107.904 178.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.512 0 C-N-CA 121.868 1.712 . . . . 0.0 108.273 178.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.604 0 O-C-N 127.057 2.723 . . . . 0.0 112.183 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.986 0 C-N-CA 126.767 2.027 . . . . 0.0 114.941 -174.45 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.674 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 175.014 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.307 -1.278 0 O-C-N 124.875 1.36 . . . . 0.0 113.64 -175.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.44 0 CA-C-O 117.443 -1.265 . . . . 0.0 112.779 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.253 1.266 0 CA-C-N 121.761 2.073 . . . . 0.0 114.943 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.47 0 C-N-CA 122.156 1.904 . . . . 0.0 113.3 178.086 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.293 -1.882 0 C-N-CA 129.795 3.238 . . . . 0.0 112.293 178.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.313 -1.02 0 O-C-N 119.428 -2.045 . . . . 0.0 109.544 177.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.336 0 CA-C-O 115.545 -2.169 . . . . 0.0 109.196 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 127.415 2.947 . . . . 0.0 109.395 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.216 0 O-C-N 120.325 -1.485 . . . . 0.0 112.886 177.222 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-O 122.048 0.927 . . . . 0.0 113.334 179.045 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.306 -1.289 0 C-N-CA 126.489 1.916 . . . . 0.0 109.233 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 125.121 1.513 . . . . 0.0 110.253 175.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.269 2.124 0 C-N-CA 127.083 2.153 . . . . 0.0 114.584 178.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.0 0 CA-C-O 117.076 -1.958 . . . . 0.0 112.327 178.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.446 0 CA-C-N 118.138 0.969 . . . . 0.0 108.501 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 176.041 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.941 0 C-N-CA 123.985 0.914 . . . . 0.0 112.802 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.456 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -175.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.077 0 C-N-CA 124.98 1.312 . . . . 0.0 108.067 175.107 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 177.25 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.969 0 CA-C-N 114.306 -1.316 . . . . 0.0 110.057 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-O 115.927 -1.987 . . . . 0.0 112.329 178.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.58 0 N-CA-C 116.551 2.056 . . . . 0.0 116.551 -174.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.592 0 CA-C-O 122.713 1.245 . . . . 0.0 112.289 -178.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.264 0 C-N-CA 122.381 2.054 . . . . 0.0 115.181 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 177.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.44 0 N-CA-C 115.151 1.537 . . . . 0.0 115.151 178.315 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.099 0 O-C-N 118.343 -2.723 . . . . 0.0 114.632 -179.053 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.253 1.287 0 N-CA-C 115.976 1.843 . . . . 0.0 115.976 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.067 0 CA-C-N 120.241 1.122 . . . . 0.0 114.884 -179.614 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.256 1.022 . . . . 0.0 112.067 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 O-C-N 125.054 1.472 . . . . 0.0 111.429 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.295 0 N-CA-C 116.93 2.196 . . . . 0.0 116.93 179.131 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 127.59 2.356 . . . . 0.0 115.572 -178.088 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.246 0.892 0 N-CA-C 117.101 2.26 . . . . 0.0 117.101 -178.516 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.052 0 CA-C-O 115.743 -2.698 . . . . 0.0 118.902 177.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.948 0 CA-C-N 124.147 3.973 . . . . 0.0 111.378 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-O 115.626 -2.13 . . . . 0.0 106.289 177.438 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.302 -1.495 0 O-C-N 125.506 1.754 . . . . 0.0 107.648 -178.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.498 0 O-C-N 125.767 1.917 . . . . 0.0 111.47 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-O 122.068 0.937 . . . . 0.0 110.698 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.248 1.0 0 N-CA-C 106.723 -1.584 . . . . 0.0 106.723 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.266 1.973 0 O-C-N 126.052 2.095 . . . . 0.0 116.222 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.806 0 CA-C-O 117.869 -1.062 . . . . 0.0 112.576 -178.254 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.485 1.931 0 N-CA-C 107.829 -2.108 . . . . 0.0 107.829 -178.392 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 125.321 2.486 . . . . 0.0 112.691 -177.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.839 0 CA-C-N 110.879 -2.873 . . . . 0.0 110.462 179.173 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.314 -0.977 0 O-C-N 126.344 2.278 . . . . 0.0 105.426 176.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.394 0 N-CA-C 117.825 2.528 . . . . 0.0 117.825 -176.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 178.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 103.828 -2.656 . . . . 0.0 103.828 177.04 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 CA-C-N 112.01 -2.359 . . . . 0.0 108.025 -179.343 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.313 0 N-CA-C 118.546 2.179 . . . . 0.0 118.546 -178.232 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.695 0 O-C-N 121.419 -1.048 . . . . 0.0 112.239 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.659 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -177.212 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-O 124.254 1.978 . . . . 0.0 109.997 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.247 0.935 0 CA-C-N 113.424 -1.716 . . . . 0.0 108.355 -178.363 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.463 0.45 0 CA-C-N 114.069 -1.423 . . . . 0.0 110.238 179.275 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 124.849 0.97 . . . . 0.0 109.966 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.986 0 CA-C-N 114.378 -1.283 . . . . 0.0 109.362 179.325 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.213 0 O-C-N 124.528 1.143 . . . . 0.0 110.188 178.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 CA--C 1.5 -0.85 0 N-CA-C 119.06 2.384 . . . . 0.0 119.06 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 120.881 -1.364 . . . . 0.0 109.111 179.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.307 -1.257 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 178.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.884 0 O-C-N 125.711 1.882 . . . . 0.0 110.277 179.13 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.331 0.586 . . . . 0.0 111.893 -179.18 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 115.687 -2.101 . . . . 0.0 108.816 -177.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.912 0 O-C-N 127.298 2.874 . . . . 0.0 110.36 178.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 117.685 -1.15 . . . . 0.0 109.589 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 O-C-N 128.077 3.36 . . . . 0.0 112.799 -177.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.283 0 O-C-N 125.156 1.535 . . . . 0.0 111.729 -178.096 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 123.886 0.874 . . . . 0.0 110.248 178.233 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.292 -1.902 0 N-CA-C 118.029 2.603 . . . . 0.0 118.029 175.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.059 0 C-N-CA 124.113 0.965 . . . . 0.0 109.092 177.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 127.433 2.958 . . . . 0.0 111.388 -177.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.305 -1.335 0 C-N-CA 129.977 3.311 . . . . 0.0 109.006 178.313 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.246 0.88 0 O-C-N 126.727 2.517 . . . . 0.0 113.796 -178.116 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 115.259 1.577 . . . . 0.0 115.259 -178.41 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 124.711 1.257 . . . . 0.0 109.941 178.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 123.967 0.907 . . . . 0.0 109.179 179.052 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 123.449 0.7 . . . . 0.0 112.748 -178.495 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-O 116.964 -1.493 . . . . 0.0 110.984 -177.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.657 0 CA-C-O 116.802 -1.571 . . . . 0.0 110.731 -176.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.16 0 CA-C-N 119.507 1.049 . . . . 0.0 112.801 -178.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 124.959 1.304 . . . . 0.0 111.634 -178.454 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 125.046 1.466 . . . . 0.0 108.321 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.744 0 O-C-N 126.552 2.408 . . . . 0.0 111.595 -178.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 0.979 0 C-N-CA 120.178 -0.609 . . . . 0.0 110.512 177.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 114.317 1.228 . . . . 0.0 114.317 -177.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.521 0 C-N-CA 125.676 1.591 . . . . 0.0 111.26 177.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.466 0.654 0 O-C-N 121.31 -0.869 . . . . 0.0 114.263 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.626 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 119.785 -1.822 . . . . 0.0 109.665 -179.363 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.878 0 N-CA-C 116.375 1.991 . . . . 0.0 116.375 -176.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 125.25 1.594 . . . . 0.0 110.289 -176.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 112.497 -2.138 . . . . 0.0 108.329 175.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 N-CA-C 104.535 -2.394 . . . . 0.0 104.535 178.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 125.44 1.713 . . . . 0.0 108.318 -177.654 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.302 -1.312 0 O-C-N 125.883 1.989 . . . . 0.0 110.965 -175.544 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.446 0 O-C-N 126.3 2.737 . . . . 0.0 115.035 -176.514 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.52 0 O-C-N 120.407 -1.433 . . . . 0.0 113.809 177.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.384 0 N-CA-C 115.58 1.696 . . . . 0.0 115.58 -176.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.263 1.812 0 CA-C-O 115.095 -2.383 . . . . 0.0 112.821 -178.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.259 1.592 0 CA-C-N 120.893 1.679 . . . . 0.0 114.874 -178.029 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.024 0 C-N-CA 127.01 2.124 . . . . 0.0 111.2 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 O-C-N 126.299 2.249 . . . . 0.0 110.482 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 125.397 1.479 . . . . 0.0 107.064 177.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.714 0 C-N-CA 126.607 1.963 . . . . 0.0 112.595 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.17 0 CA-C-N 113.175 -1.83 . . . . 0.0 111.403 -177.673 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.309 -1.153 0 C-N-CA 123.846 0.858 . . . . 0.0 113.179 -179.088 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 104.16 -2.533 . . . . 0.0 104.16 177.453 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 104.815 -2.291 . . . . 0.0 104.815 178.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 128.524 3.64 . . . . 0.0 117.022 -175.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.584 4.36 0 N-CA-C 105.314 -3.114 . . . . 0.0 105.314 177.079 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.365 0 O-C-N 128.496 3.115 . . . . 0.0 106.585 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.244 0.774 0 C-N-CA 118.919 -1.112 . . . . 0.0 112.695 -177.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.753 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 177.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.244 0.798 0 CA-C-O 122.45 1.119 . . . . 0.0 108.105 176.388 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 121.488 1.459 . . . . 0.0 111.811 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 177.02 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 105.373 -2.084 . . . . 0.0 105.373 177.489 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 122.807 1.289 . . . . 0.0 110.13 -176.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.25 1.151 0 CA-C-N 112.66 -2.064 . . . . 0.0 112.8 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.309 -1.193 0 CA-C-N 118.129 0.965 . . . . 0.0 110.747 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 O-C-N 123.503 1.265 . . . . 0.0 111.663 177.332 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.021 0 N-CA-C 103.166 -2.902 . . . . 0.0 103.166 178.602 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.347 0 O-C-N 126.882 2.614 . . . . 0.0 112.25 -178.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.684 0 N-CA-C 107.603 -1.73 . . . . 0.0 107.603 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.292 -1.926 0 O-C-N 128.128 3.393 . . . . 0.0 103.031 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.266 1.959 0 CA-C-O 115.99 -1.957 . . . . 0.0 108.795 -178.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 C--N 1.293 -1.838 0 N-CA-C 104.04 -3.624 . . . . 0.0 104.04 179.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.257 1.49 0 CA-C-O 115.706 -2.092 . . . . 0.0 109.501 -178.217 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.729 0 N-CA-C 103.673 -2.714 . . . . 0.0 103.673 -178.5 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.077 0 O-C-N 127.763 3.164 . . . . 0.0 113.536 -177.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 -178.379 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.916 0 O-C-N 126.233 2.208 . . . . 0.0 107.604 -179.079 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.496 -2.179 . . . . 0.0 110.271 -177.272 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.324 0 N-CA-C 100.597 -3.853 . . . . 0.0 100.597 -179.121 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.309 0 CA-C-O 115.217 -2.076 . . . . 0.0 112.085 178.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.272 -2.791 0 CA-C-N 120.723 1.601 . . . . 0.0 109.606 177.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.397 0 CA-C-N 112.795 -2.002 . . . . 0.0 110.562 178.337 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.278 0 O-C-N 120.957 -1.09 . . . . 0.0 110.416 178.568 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.155 0 O-C-N 125.771 1.92 . . . . 0.0 110.312 -178.377 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.074 0 O-C-N 127.038 2.711 . . . . 0.0 107.006 178.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.484 -1.593 0 CA-C-O 122.196 0.998 . . . . 0.0 112.961 177.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.884 0 O-C-N 117.498 -3.252 . . . . 0.0 114.574 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.796 0 O-C-N 125.593 1.808 . . . . 0.0 108.133 179.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.577 1 O-C-N 129.192 4.057 . . . . 0.0 109.788 179.147 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 120.061 -1.65 . . . . 0.0 111.851 179.131 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.302 -1.489 0 C-N-CA 125.105 1.362 . . . . 0.0 112.754 178.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.054 0 C-N-CA 128.001 2.715 . . . . 0.0 114.287 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.273 2.31 0 C-N-CA 128.224 2.61 . . . . 0.0 111.486 -179.043 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 C-N-CA 117.582 -1.647 . . . . 0.0 107.348 -178.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.068 0 CA-C-O 117.264 -1.351 . . . . 0.0 109.037 179.17 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.315 0 C-N-CA 122.877 2.385 . . . . 0.0 111.739 178.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.249 1.048 0 O-C-N 118.649 -2.532 . . . . 0.0 115.655 -175.572 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.043 0 C-N-CA 126.605 1.962 . . . . 0.0 110.948 -177.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.938 0 C-N-CA 123.424 2.75 . . . . 0.0 115.49 178.016 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-N 121.323 1.874 . . . . 0.0 113.416 177.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 124.931 1.292 . . . . 0.0 108.036 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.863 0 C-N-CA 119.037 -1.065 . . . . 0.0 109.724 179.143 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.583 -0.698 . . . . 0.0 109.268 179.107 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 C--O 1.243 0.755 0 CA-C-N 114.282 -1.326 . . . . 0.0 109.724 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-N 119.62 1.1 . . . . 0.0 111.978 -177.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-O 117.136 -1.412 . . . . 0.0 111.851 -178.019 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.307 -1.282 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 -178.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.467 0 CA-C-N 114.587 -1.188 . . . . 0.0 109.153 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-O 124.91 2.29 . . . . 0.0 109.395 178.35 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.053 0 CA-C-N 112.757 -2.02 . . . . 0.0 111.301 178.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-N 121.116 1.78 . . . . 0.0 112.732 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.314 0 CA-C-O 118.481 -0.771 . . . . 0.0 112.298 -176.288 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 O-C-N 124.056 0.848 . . . . 0.0 109.11 -179.334 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-O 115.201 -2.333 . . . . 0.0 110.883 -178.12 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.222 0 O-C-N 127.611 3.069 . . . . 0.0 111.06 178.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.776 0 C-N-CA 127.41 2.284 . . . . 0.0 113.694 -177.102 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 125.936 2.022 . . . . 0.0 112.216 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.393 0 CA-C-N 121.289 1.859 . . . . 0.0 114.777 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.26 1.619 0 C-N-CA 124.848 1.259 . . . . 0.0 111.38 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 178.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 178.208 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 O-C-N 124.823 1.327 . . . . 0.0 110.012 -178.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-N 113.629 -1.623 . . . . 0.0 111.02 178.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 127.165 2.186 . . . . 0.0 112.526 -178.519 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 113.669 -1.605 . . . . 0.0 111.97 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-O 116.757 -1.592 . . . . 0.0 111.666 -178.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 126.515 2.385 . . . . 0.0 107.497 178.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.039 0 C-N-CA 126.413 1.885 . . . . 0.0 113.162 179.235 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.637 -179.216 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.189 0 O-C-N 124.443 1.089 . . . . 0.0 108.209 178.159 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-O 116.542 -1.694 . . . . 0.0 112.113 179.032 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.257 1.477 0 N-CA-C 115.909 1.818 . . . . 0.0 115.909 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 O-C-N 124.48 1.112 . . . . 0.0 111.11 -177.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.141 0 O-C-N 125.488 1.742 . . . . 0.0 111.321 -178.624 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.31 -1.115 0 C-N-CA 127.274 2.23 . . . . 0.0 107.439 179.111 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 500' ' ' MXT . . . . . 1.161 H111 ' N ' ' A' ' 41' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 600' ' ' MXT . . . . . 0.75 ' O12' H231 ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.506 2.335 0 O-C-N 125.664 1.852 . . . . 0.0 106.843 169.76 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.716 1 O-C-N 129.172 4.249 . . . . 0.0 107.991 -175.913 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.909 0 CA-C-N 121.033 1.742 . . . . 0.0 112.625 -178.044 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.502 2.166 0 CA-C-N 114.241 -1.345 . . . . 0.0 110.92 -177.955 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.187 0 C-N-CA 127.005 2.122 . . . . 0.0 110.243 -177.252 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.474 0 O-C-N 120.89 -1.131 . . . . 0.0 109.846 179.8 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.583 0 N-CA-C 105.955 -1.869 . . . . 0.0 105.955 -178.182 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 127.125 2.766 . . . . 0.0 107.781 179.46 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.771 0 CA-C-O 115.399 -2.239 . . . . 0.0 106.454 -179.059 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.533 1 O-C-N 130.714 5.009 . . . . 0.0 106.336 169.896 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.129 0 CA-C-O 113.743 -3.027 . . . . 0.0 105.863 -179.8 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.489 1.483 0 CA-C-N 121.136 1.789 . . . . 0.0 110.016 -177.717 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.766 0 O-C-N 125.835 1.959 . . . . 0.0 105.773 -176.609 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.351 0 O-C-N 127.525 3.016 . . . . 0.0 112.736 -176.359 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.267 1.977 0 O-C-N 127.188 2.805 . . . . 0.0 112.259 177.615 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 122.189 2.268 . . . . 0.0 111.904 -179.646 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--O 1.225 -0.224 0 O-C-N 126.631 2.457 . . . . 0.0 109.727 -174.841 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.733 0 C-N-CA 124.735 3.623 . . . . 0.0 111.912 179.757 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.477 0.876 0 CA-C-N 111.738 -2.483 . . . . 0.0 106.729 179.167 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.241 0 O-C-N 127.52 3.379 . . . . 0.0 107.904 178.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.329 -0.495 0 CA-C-O 116.186 -1.673 . . . . 0.0 108.317 178.906 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.597 0 O-C-N 127.047 2.717 . . . . 0.0 112.179 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.291 -1.973 0 C-N-CA 126.705 2.002 . . . . 0.0 114.915 -174.508 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.675 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 175.001 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.285 0 O-C-N 124.877 1.361 . . . . 0.0 113.619 -175.738 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.255 1.385 0 CA-C-O 117.399 -1.286 . . . . 0.0 112.803 -179.426 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.304 0 CA-C-N 121.731 2.06 . . . . 0.0 114.944 179.616 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.311 -1.411 0 C-N-CA 122.138 1.892 . . . . 0.0 113.346 178.102 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.873 0 C-N-CA 129.752 3.221 . . . . 0.0 112.249 178.88 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.041 0 O-C-N 119.437 -2.039 . . . . 0.0 109.554 177.965 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.353 0 CA-C-O 115.573 -2.156 . . . . 0.0 109.235 179.727 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 127.445 2.966 . . . . 0.0 109.348 179.625 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.228 0 O-C-N 120.284 -1.51 . . . . 0.0 112.868 177.207 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-O 122.014 0.911 . . . . 0.0 113.334 179.014 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.26 0 C-N-CA 126.455 1.902 . . . . 0.0 109.302 179.717 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.787 0 O-C-N 125.084 1.49 . . . . 0.0 110.24 175.837 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.184 0 C-N-CA 127.093 2.157 . . . . 0.0 114.634 178.804 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 1.974 0 CA-C-O 117.112 -1.938 . . . . 0.0 112.371 178.474 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-N 118.118 0.959 . . . . 0.0 108.503 179.246 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 107.324 -1.361 . . . . 0.0 107.324 175.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.963 0 C-N-CA 123.936 0.895 . . . . 0.0 112.86 -179.527 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.486 0 N-CA-C 114.981 1.474 . . . . 0.0 114.981 -175.504 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.31 -1.109 0 C-N-CA 125.034 1.334 . . . . 0.0 108.093 175.052 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 177.224 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.928 0 CA-C-N 114.279 -1.328 . . . . 0.0 110.095 -179.883 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 115.995 -1.955 . . . . 0.0 112.342 178.771 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.572 0 C-N-CA 126.875 2.07 . . . . 0.0 116.563 -174.914 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.596 0 CA-C-O 122.768 1.27 . . . . 0.0 112.283 -178.911 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 122.35 2.033 . . . . 0.0 115.117 -179.515 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 177.637 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.422 0 N-CA-C 115.147 1.536 . . . . 0.0 115.147 178.377 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.11 0 O-C-N 118.361 -2.712 . . . . 0.0 114.618 -179.062 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.255 1.352 0 N-CA-C 115.967 1.839 . . . . 0.0 115.967 179.648 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.051 0 CA-C-N 120.306 1.145 . . . . 0.0 114.895 -179.616 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.262 1.025 . . . . 0.0 112.025 179.827 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 O-C-N 125.073 1.483 . . . . 0.0 111.453 -179.704 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.255 1.346 0 N-CA-C 116.88 2.178 . . . . 0.0 116.88 179.118 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 127.605 2.362 . . . . 0.0 115.613 -178.072 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.246 0.884 0 N-CA-C 117.144 2.276 . . . . 0.0 117.144 -178.586 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.066 0 CA-C-O 115.696 -2.724 . . . . 0.0 118.917 177.72 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.947 0 CA-C-N 124.152 3.976 . . . . 0.0 111.399 179.706 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-O 115.643 -2.122 . . . . 0.0 106.276 177.475 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.302 -1.497 0 O-C-N 125.515 1.76 . . . . 0.0 107.672 -178.958 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.49 0 O-C-N 125.762 1.914 . . . . 0.0 111.471 -179.678 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.304 -1.392 0 CA-C-O 122.064 0.935 . . . . 0.0 110.72 179.417 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.25 1.08 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 1.982 0 O-C-N 126.035 2.084 . . . . 0.0 116.171 -179.822 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.786 0 CA-C-O 117.933 -1.032 . . . . 0.0 112.594 -178.306 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 1.994 0 N-CA-C 107.787 -2.125 . . . . 0.0 107.787 -178.404 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 125.339 2.495 . . . . 0.0 112.702 -177.809 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.246 0.895 0 CA-C-N 110.902 -2.863 . . . . 0.0 110.43 179.232 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -1.002 0 O-C-N 126.375 2.297 . . . . 0.0 105.427 176.632 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.398 0 N-CA-C 117.814 2.524 . . . . 0.0 117.814 -176.539 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 178.785 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 103.846 -2.65 . . . . 0.0 103.846 177.021 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 CA-C-N 111.999 -2.364 . . . . 0.0 108.03 -179.317 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.335 0 N-CA-C 118.529 2.172 . . . . 0.0 118.529 -178.193 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.243 0.714 0 O-C-N 121.467 -1.02 . . . . 0.0 112.234 -179.662 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.632 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -177.205 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-O 124.242 1.972 . . . . 0.0 110.055 -179.781 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.894 0 CA-C-N 113.448 -1.705 . . . . 0.0 108.392 -178.382 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.463 0.475 0 CA-C-N 114.015 -1.448 . . . . 0.0 110.214 179.256 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 124.844 0.967 . . . . 0.0 110.013 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 1.0 0 CA-C-N 114.354 -1.294 . . . . 0.0 109.357 179.265 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.224 0 O-C-N 124.531 1.144 . . . . 0.0 110.158 178.908 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.84 0 N-CA-C 119.037 2.375 . . . . 0.0 119.037 -179.618 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.827 0 O-C-N 120.888 -1.36 . . . . 0.0 109.077 179.513 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 178.615 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.899 0 O-C-N 125.671 1.857 . . . . 0.0 110.214 179.131 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.319 0.58 . . . . 0.0 111.927 -179.186 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 115.711 -2.09 . . . . 0.0 108.783 -177.914 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.912 0 O-C-N 127.296 2.872 . . . . 0.0 110.394 178.692 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-O 117.685 -1.15 . . . . 0.0 109.62 -179.726 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 O-C-N 128.139 3.399 . . . . 0.0 112.86 -177.763 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.241 0 O-C-N 125.108 1.505 . . . . 0.0 111.726 -178.067 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 123.869 0.868 . . . . 0.0 110.211 178.202 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.971 0 N-CA-C 118.001 2.593 . . . . 0.0 118.001 175.673 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.311 -1.075 0 C-N-CA 124.083 0.953 . . . . 0.0 109.119 177.468 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 127.407 2.942 . . . . 0.0 111.346 -177.946 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 129.97 3.308 . . . . 0.0 108.98 178.314 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.246 0.89 0 O-C-N 126.743 2.527 . . . . 0.0 113.803 -178.127 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 115.309 1.596 . . . . 0.0 115.309 -178.445 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 124.781 1.301 . . . . 0.0 109.931 178.543 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 124.006 0.923 . . . . 0.0 109.2 179.015 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.861 0 C-N-CA 123.475 0.71 . . . . 0.0 112.7 -178.449 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-O 116.949 -1.5 . . . . 0.0 110.988 -177.833 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 CA-C-O 116.778 -1.582 . . . . 0.0 110.673 -176.939 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.165 0 CA-C-N 119.572 1.078 . . . . 0.0 112.847 -178.855 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 124.913 1.285 . . . . 0.0 111.699 -178.488 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 125.054 1.471 . . . . 0.0 108.292 -179.59 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 126.54 2.4 . . . . 0.0 111.61 -178.891 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 0.997 0 C-N-CA 120.174 -0.61 . . . . 0.0 110.506 177.558 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -177.795 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 125.621 1.568 . . . . 0.0 111.208 177.411 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.467 0.707 0 O-C-N 121.291 -0.88 . . . . 0.0 114.219 -179.401 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 179.183 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 119.81 -1.806 . . . . 0.0 109.623 -179.319 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 116.32 1.971 . . . . 0.0 116.32 -176.925 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.328 0 O-C-N 125.268 1.605 . . . . 0.0 110.303 -176.596 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 112.534 -2.121 . . . . 0.0 108.263 176.068 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 N-CA-C 104.496 -2.409 . . . . 0.0 104.496 178.509 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 125.403 1.689 . . . . 0.0 108.342 -177.724 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.291 0 O-C-N 125.894 1.996 . . . . 0.0 110.988 -175.565 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.462 0 O-C-N 126.302 2.738 . . . . 0.0 115.103 -176.546 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.504 0 O-C-N 120.4 -1.437 . . . . 0.0 113.779 177.716 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.256 1.397 0 N-CA-C 115.618 1.71 . . . . 0.0 115.618 -176.964 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.264 1.818 0 CA-C-O 115.103 -2.38 . . . . 0.0 112.804 -178.742 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.259 1.605 0 CA-C-N 120.932 1.696 . . . . 0.0 114.822 -177.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.045 0 C-N-CA 127.039 2.136 . . . . 0.0 111.227 -179.546 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.498 0 O-C-N 126.255 2.222 . . . . 0.0 110.461 -179.762 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 125.363 1.465 . . . . 0.0 107.054 177.923 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.722 0 C-N-CA 126.554 1.942 . . . . 0.0 112.62 178.993 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.169 0 CA-C-N 113.181 -1.827 . . . . 0.0 111.407 -177.654 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.309 -1.175 0 C-N-CA 123.869 0.868 . . . . 0.0 113.125 -179.141 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 104.161 -2.533 . . . . 0.0 104.161 177.436 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 104.846 -2.279 . . . . 0.0 104.846 178.649 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 128.438 3.586 . . . . 0.0 116.984 -175.603 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.316 0 N-CA-C 105.337 -3.105 . . . . 0.0 105.337 177.12 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.361 0 O-C-N 128.452 3.089 . . . . 0.0 106.53 179.83 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.244 0.776 0 C-N-CA 118.93 -1.108 . . . . 0.0 112.653 -177.609 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 177.562 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.819 0 CA-C-O 122.44 1.115 . . . . 0.0 108.061 176.464 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.447 -1.264 0 C-N-CA 121.487 1.458 . . . . 0.0 111.873 -179.731 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 176.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 105.335 -2.098 . . . . 0.0 105.335 177.519 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 122.775 1.274 . . . . 0.0 110.118 -176.934 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.25 1.128 0 CA-C-N 112.673 -2.058 . . . . 0.0 112.785 178.769 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.309 -1.194 0 CA-C-N 118.155 0.977 . . . . 0.0 110.742 179.558 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.962 0 O-C-N 123.49 1.258 . . . . 0.0 111.691 177.31 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.048 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 178.897 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.346 0 O-C-N 126.902 2.626 . . . . 0.0 112.21 -178.862 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.44 -1.674 0 N-CA-C 107.544 -1.752 . . . . 0.0 107.544 -179.927 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.947 0 O-C-N 128.082 3.364 . . . . 0.0 103.019 179.566 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 2.0 0 CA-C-O 115.996 -1.955 . . . . 0.0 108.815 179.394 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.544 1.856 0 N-CA-C 104.097 -3.601 . . . . 0.0 104.097 -179.506 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.533 0 CA-C-O 115.715 -2.088 . . . . 0.0 109.459 -177.956 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.733 0 N-CA-C 103.705 -2.702 . . . . 0.0 103.705 -179.323 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.498 -1.039 0 O-C-N 127.76 3.163 . . . . 0.0 113.515 -177.947 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 106.379 -1.711 . . . . 0.0 106.379 -178.102 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.501 2.986 0 O-C-N 126.295 2.247 . . . . 0.0 107.616 -179.171 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.194 -2.357 . . . . 0.0 110.271 -177.273 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--N 1.302 -1.486 0 N-CA-C 100.585 -3.858 . . . . 0.0 100.585 -174.92 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.304 0 CA-C-O 115.21 -2.079 . . . . 0.0 112.085 179.422 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.817 0 CA-C-N 120.756 1.616 . . . . 0.0 109.547 177.795 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.276 2.449 0 CA-C-N 112.858 -1.974 . . . . 0.0 110.555 178.333 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.296 0 O-C-N 120.924 -1.11 . . . . 0.0 110.43 178.573 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.151 0 O-C-N 125.802 1.939 . . . . 0.0 110.235 -178.352 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.101 0 O-C-N 127.014 2.696 . . . . 0.0 107.025 179.018 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.484 -1.569 0 CA-C-O 122.164 0.983 . . . . 0.0 112.881 177.919 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.887 0 O-C-N 117.484 -3.26 . . . . 0.0 114.584 179.644 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.812 0 O-C-N 125.598 1.811 . . . . 0.0 108.129 179.505 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.583 1 O-C-N 129.267 4.104 . . . . 0.0 109.734 179.204 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 120.072 -1.642 . . . . 0.0 111.882 179.075 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.519 0 C-N-CA 125.048 1.339 . . . . 0.0 112.749 178.766 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.288 -2.095 0 C-N-CA 128.053 2.74 . . . . 0.0 114.272 -179.106 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.269 0 C-N-CA 128.278 2.631 . . . . 0.0 111.492 -178.77 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 C-N-CA 117.569 -1.652 . . . . 0.0 107.354 179.958 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.085 0 CA-C-O 117.273 -1.346 . . . . 0.0 109.035 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.34 0 C-N-CA 122.928 2.419 . . . . 0.0 111.727 178.095 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 0.979 0 O-C-N 118.625 -2.547 . . . . 0.0 115.731 -177.451 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.053 0 C-N-CA 126.641 1.976 . . . . 0.0 110.938 178.839 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.931 0 C-N-CA 123.438 2.758 . . . . 0.0 115.484 177.872 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-N 121.285 1.857 . . . . 0.0 113.422 178.013 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 124.932 1.293 . . . . 0.0 108.024 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.832 0 C-N-CA 119.041 -1.063 . . . . 0.0 109.772 179.101 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.579 -0.7 . . . . 0.0 109.304 179.064 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 C--O 1.244 0.784 0 CA-C-N 114.263 -1.335 . . . . 0.0 109.714 179.861 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-N 119.617 1.099 . . . . 0.0 111.914 -177.958 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-O 117.114 -1.422 . . . . 0.0 111.862 -178.005 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 115.025 1.491 . . . . 0.0 115.025 -178.905 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.486 0 CA-C-N 114.58 -1.191 . . . . 0.0 109.161 179.771 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-O 124.839 2.257 . . . . 0.0 109.468 178.287 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.027 0 CA-C-N 112.721 -2.036 . . . . 0.0 111.311 178.738 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-N 121.113 1.779 . . . . 0.0 112.753 179.845 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.311 0 CA-C-O 118.428 -0.796 . . . . 0.0 112.3 -176.301 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 O-C-N 124.096 0.872 . . . . 0.0 109.117 -179.37 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-O 115.224 -2.322 . . . . 0.0 110.937 -178.153 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.219 0 O-C-N 127.613 3.07 . . . . 0.0 111.062 178.963 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.799 0 C-N-CA 127.403 2.281 . . . . 0.0 113.775 -177.176 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 125.941 2.025 . . . . 0.0 112.203 -179.913 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.255 1.433 0 CA-C-N 121.283 1.856 . . . . 0.0 114.779 179.841 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.566 0 C-N-CA 124.775 1.23 . . . . 0.0 111.418 179.565 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 178.969 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.216 0 N-CA-C 107.243 -1.391 . . . . 0.0 107.243 178.273 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.935 0 O-C-N 124.826 1.329 . . . . 0.0 110.065 -178.635 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-N 113.637 -1.62 . . . . 0.0 111.05 178.294 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.302 -1.473 0 C-N-CA 127.119 2.168 . . . . 0.0 112.52 -178.52 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 113.693 -1.594 . . . . 0.0 111.964 179.798 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.67 0 CA-C-O 116.8 -1.572 . . . . 0.0 111.688 -178.319 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 126.502 2.376 . . . . 0.0 107.56 178.887 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.437 -1.096 0 C-N-CA 126.43 1.892 . . . . 0.0 113.138 179.29 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.606 -179.203 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.308 -1.205 0 O-C-N 124.427 1.079 . . . . 0.0 108.196 178.124 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-O 116.578 -1.677 . . . . 0.0 112.113 179.07 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.257 1.499 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 -179.754 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 O-C-N 124.471 1.107 . . . . 0.0 111.109 -177.93 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.12 0 O-C-N 125.436 1.71 . . . . 0.0 111.373 -178.674 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.076 0 C-N-CA 127.278 2.231 . . . . 0.0 107.421 179.116 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 500' ' ' MXT . . . . . 0.918 ' O11' H231 ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 600' ' ' MXT . . . . . 0.426 ' O12' ' C22' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.924 ' N ' H111 ' A' ' 500' ' ' MXT . 43.4 t -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.325 0 O-C-N 125.664 1.852 . . . . 0.0 106.83 172.915 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.725 1 O-C-N 129.184 4.255 . . . . 0.0 107.935 -175.9 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.9 0 CA-C-N 120.998 1.726 . . . . 0.0 112.626 -179.158 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.502 2.165 0 CA-C-N 114.226 -1.352 . . . . 0.0 110.911 179.354 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.163 0 C-N-CA 126.947 2.099 . . . . 0.0 110.212 -177.718 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.452 0 O-C-N 120.868 -1.145 . . . . 0.0 109.844 -173.715 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.26 1.62 0 N-CA-C 105.932 -1.877 . . . . 0.0 105.932 -177.182 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 127.151 2.782 . . . . 0.0 107.79 -178.244 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.782 0 CA-C-O 115.454 -2.212 . . . . 0.0 106.422 176.95 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.544 1 O-C-N 130.651 4.97 . . . . 0.0 106.313 178.868 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.134 0 CA-C-O 113.753 -3.022 . . . . 0.0 105.858 -179.847 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.46 0 CA-C-N 121.109 1.777 . . . . 0.0 110.041 -177.782 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.783 0 O-C-N 125.866 1.978 . . . . 0.0 105.813 -176.606 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.254 1.326 0 O-C-N 127.497 2.998 . . . . 0.0 112.74 -176.319 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.961 0 O-C-N 127.231 2.832 . . . . 0.0 112.238 177.64 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 122.185 2.266 . . . . 0.0 111.876 -179.615 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.332 -0.186 0 O-C-N 126.626 2.454 . . . . 0.0 109.714 -174.915 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--O 1.243 0.752 0 C-N-CA 124.663 3.576 . . . . 0.0 111.946 179.735 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.832 0 CA-C-N 111.762 -2.472 . . . . 0.0 106.758 179.14 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.253 0 O-C-N 127.512 3.375 . . . . 0.0 107.918 178.956 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.329 -0.495 0 O-C-N 124.316 1.693 . . . . 0.0 108.307 178.875 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.426 -1.631 0 O-C-N 127.028 2.705 . . . . 0.0 112.172 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -2.007 0 C-N-CA 126.799 2.039 . . . . 0.0 114.96 -174.474 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.57 1.719 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 175.022 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 124.922 1.388 . . . . 0.0 113.656 -175.823 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.257 1.48 0 CA-C-O 117.372 -1.299 . . . . 0.0 112.755 -179.403 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.253 1.269 0 CA-C-N 121.809 2.095 . . . . 0.0 114.961 179.572 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.464 0 C-N-CA 122.176 1.917 . . . . 0.0 113.309 178.082 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.292 -1.893 0 C-N-CA 129.796 3.239 . . . . 0.0 112.278 178.871 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.043 0 O-C-N 119.439 -2.038 . . . . 0.0 109.522 177.987 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.559 1.301 0 CA-C-O 115.589 -2.148 . . . . 0.0 109.241 179.734 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 127.351 2.907 . . . . 0.0 109.374 179.563 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.212 0 O-C-N 120.284 -1.51 . . . . 0.0 112.891 177.211 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-O 122.045 0.926 . . . . 0.0 113.357 178.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.263 0 C-N-CA 126.504 1.922 . . . . 0.0 109.263 179.739 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.768 0 O-C-N 125.17 1.544 . . . . 0.0 110.256 175.878 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.149 0 C-N-CA 127.11 2.164 . . . . 0.0 114.619 178.789 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.012 0 CA-C-O 117.089 -1.951 . . . . 0.0 112.345 178.475 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-N 118.099 0.95 . . . . 0.0 108.513 179.283 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 107.243 -1.391 . . . . 0.0 107.243 176.022 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.953 0 C-N-CA 123.922 0.889 . . . . 0.0 112.896 -179.515 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.462 0 N-CA-C 114.99 1.478 . . . . 0.0 114.99 -175.544 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.31 -1.111 0 C-N-CA 125.047 1.339 . . . . 0.0 108.099 175.066 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 177.246 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.955 0 CA-C-N 114.264 -1.335 . . . . 0.0 110.091 -179.943 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-O 116.043 -1.932 . . . . 0.0 112.334 178.787 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.278 -2.536 0 N-CA-C 116.585 2.069 . . . . 0.0 116.585 -174.931 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.586 0 CA-C-O 122.717 1.246 . . . . 0.0 112.324 -178.952 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 122.358 2.038 . . . . 0.0 115.119 -179.533 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 177.649 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.408 0 N-CA-C 115.192 1.553 . . . . 0.0 115.192 178.337 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.114 0 O-C-N 118.304 -2.747 . . . . 0.0 114.628 -179.107 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.338 0 N-CA-C 115.992 1.849 . . . . 0.0 115.992 179.719 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.502 -1.08 0 CA-C-N 120.309 1.146 . . . . 0.0 114.862 -179.678 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.251 1.02 . . . . 0.0 112.05 179.852 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 O-C-N 125.099 1.499 . . . . 0.0 111.469 -179.74 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.341 0 N-CA-C 116.896 2.184 . . . . 0.0 116.896 179.155 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 127.626 2.37 . . . . 0.0 115.563 -178.066 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.84 0 N-CA-C 117.155 2.28 . . . . 0.0 117.155 -178.587 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.482 -2.015 0 CA-C-O 115.67 -2.739 . . . . 0.0 118.884 177.668 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.954 0 CA-C-N 124.132 3.966 . . . . 0.0 111.409 179.726 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-O 115.596 -2.145 . . . . 0.0 106.299 177.537 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.3 -1.546 0 O-C-N 125.514 1.759 . . . . 0.0 107.634 -179.009 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.256 1.44 0 O-C-N 125.809 1.943 . . . . 0.0 111.468 -179.61 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-O 122.063 0.935 . . . . 0.0 110.715 179.469 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.073 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 -179.933 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 2.01 0 O-C-N 125.989 2.055 . . . . 0.0 116.231 -179.809 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.788 0 CA-C-O 117.93 -1.033 . . . . 0.0 112.563 -178.265 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 1.973 0 N-CA-C 107.811 -2.116 . . . . 0.0 107.811 -178.416 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 125.344 2.497 . . . . 0.0 112.683 -177.823 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.246 0.871 0 CA-C-N 110.888 -2.869 . . . . 0.0 110.47 179.196 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -0.99 0 O-C-N 126.374 2.296 . . . . 0.0 105.417 176.66 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.399 0 N-CA-C 117.83 2.53 . . . . 0.0 117.83 -176.567 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 178.826 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 103.816 -2.661 . . . . 0.0 103.816 177.051 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 CA-C-N 112.03 -2.35 . . . . 0.0 108.056 -179.35 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.252 1.275 0 N-CA-C 118.525 2.17 . . . . 0.0 118.525 -178.213 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.679 0 O-C-N 121.438 -1.037 . . . . 0.0 112.277 -179.683 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.667 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -177.198 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.826 0 CA-C-O 124.212 1.958 . . . . 0.0 110.063 -179.821 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.895 0 CA-C-N 113.421 -1.718 . . . . 0.0 108.38 -178.373 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 C--N 1.318 -0.421 0 CA-C-N 114.081 -1.418 . . . . 0.0 110.222 179.255 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 124.777 0.928 . . . . 0.0 110.025 179.884 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 1.001 0 CA-C-N 114.391 -1.277 . . . . 0.0 109.33 179.306 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.216 0 O-C-N 124.544 1.152 . . . . 0.0 110.163 178.891 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.86 0 N-CA-C 119.043 2.377 . . . . 0.0 119.043 -179.653 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.841 0 O-C-N 120.885 -1.362 . . . . 0.0 109.097 179.506 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 107.115 -1.439 . . . . 0.0 107.115 178.571 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.266 1.935 0 O-C-N 125.666 1.854 . . . . 0.0 110.223 179.135 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.339 0.59 . . . . 0.0 111.897 -179.164 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 115.691 -2.099 . . . . 0.0 108.795 -177.947 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.904 0 O-C-N 127.258 2.849 . . . . 0.0 110.374 178.747 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-O 117.682 -1.152 . . . . 0.0 109.631 -179.772 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 O-C-N 128.141 3.4 . . . . 0.0 112.814 -177.726 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.28 0 O-C-N 125.183 1.552 . . . . 0.0 111.708 -178.025 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 123.878 0.871 . . . . 0.0 110.177 178.301 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 118.011 2.596 . . . . 0.0 118.011 175.681 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.311 -1.066 0 C-N-CA 124.088 0.955 . . . . 0.0 109.092 177.513 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 127.41 2.944 . . . . 0.0 111.348 -177.938 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.389 0 C-N-CA 130.027 3.331 . . . . 0.0 108.989 178.332 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.927 0 O-C-N 126.737 2.523 . . . . 0.0 113.78 -178.124 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 115.291 1.589 . . . . 0.0 115.291 -178.431 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 124.699 1.25 . . . . 0.0 109.918 178.546 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.303 -1.426 0 C-N-CA 124.024 0.93 . . . . 0.0 109.17 179.027 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 123.489 0.716 . . . . 0.0 112.73 -178.502 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-O 117.045 -1.455 . . . . 0.0 111.034 -177.863 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.645 0 CA-C-O 116.788 -1.577 . . . . 0.0 110.717 -176.959 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.147 0 CA-C-N 119.522 1.056 . . . . 0.0 112.813 -178.862 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 124.971 1.308 . . . . 0.0 111.668 -178.447 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 125.011 1.445 . . . . 0.0 108.33 -179.6 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 126.524 2.39 . . . . 0.0 111.604 -178.927 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.249 1.039 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.492 177.547 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 -177.746 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.503 0 C-N-CA 125.615 1.566 . . . . 0.0 111.258 177.384 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 C--O 1.243 0.668 0 O-C-N 121.296 -0.877 . . . . 0.0 114.258 -179.437 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.634 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 179.2 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 119.762 -1.837 . . . . 0.0 109.679 -179.4 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 116.354 1.983 . . . . 0.0 116.354 -176.929 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 125.276 1.61 . . . . 0.0 110.329 -176.614 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--O 1.211 -0.925 0 CA-C-N 112.588 -2.096 . . . . 0.0 108.281 176.021 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 N-CA-C 104.503 -2.406 . . . . 0.0 104.503 178.494 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 125.379 1.675 . . . . 0.0 108.279 -177.654 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.301 0 O-C-N 125.969 2.043 . . . . 0.0 110.965 -175.559 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.437 0 O-C-N 126.239 2.705 . . . . 0.0 115.04 -176.527 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.541 0 O-C-N 120.455 -1.403 . . . . 0.0 113.822 177.669 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.256 1.401 0 N-CA-C 115.627 1.714 . . . . 0.0 115.627 -176.987 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 115.06 -2.4 . . . . 0.0 112.779 -178.741 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.261 1.678 0 CA-C-N 120.915 1.689 . . . . 0.0 114.842 -178.002 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.311 -1.067 0 C-N-CA 127.025 2.13 . . . . 0.0 111.177 -179.534 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 O-C-N 126.267 2.229 . . . . 0.0 110.438 -179.698 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 125.336 1.455 . . . . 0.0 107.088 177.883 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.261 1.701 0 C-N-CA 126.615 1.966 . . . . 0.0 112.579 179.02 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.161 0 CA-C-N 113.187 -1.824 . . . . 0.0 111.394 -177.657 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.309 -1.181 0 C-N-CA 123.852 0.861 . . . . 0.0 113.145 -179.087 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 N-CA-C 104.162 -2.532 . . . . 0.0 104.162 177.428 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 104.825 -2.287 . . . . 0.0 104.825 178.655 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 128.536 3.647 . . . . 0.0 116.979 -175.63 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.584 4.348 0 N-CA-C 105.346 -3.102 . . . . 0.0 105.346 177.097 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.273 2.328 0 O-C-N 128.516 3.127 . . . . 0.0 106.555 179.82 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.817 0 C-N-CA 118.926 -1.11 . . . . 0.0 112.678 -177.59 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 177.562 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.244 0.802 0 CA-C-O 122.506 1.146 . . . . 0.0 108.084 176.423 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.265 0 C-N-CA 121.508 1.472 . . . . 0.0 111.858 -179.695 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 177.039 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 105.308 -2.108 . . . . 0.0 105.308 177.538 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 122.781 1.277 . . . . 0.0 110.135 -176.923 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.201 0 CA-C-N 112.686 -2.052 . . . . 0.0 112.759 179.3 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.215 0 CA-C-N 118.197 0.998 . . . . 0.0 110.723 179.82 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.453 -0.887 0 O-C-N 123.484 1.255 . . . . 0.0 111.66 177.276 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.024 0 N-CA-C 103.181 -2.896 . . . . 0.0 103.181 178.641 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.332 0 O-C-N 126.868 2.605 . . . . 0.0 112.25 -178.944 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.44 -1.67 0 N-CA-C 107.574 -1.741 . . . . 0.0 107.574 -178.781 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.941 0 O-C-N 128.108 3.38 . . . . 0.0 102.993 179.83 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 2.02 0 CA-C-O 115.966 -1.969 . . . . 0.0 108.82 -179.605 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 C--N 1.293 -1.839 0 N-CA-C 104.103 -3.599 . . . . 0.0 104.103 -179.678 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.545 0 CA-C-O 115.664 -2.112 . . . . 0.0 109.508 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.724 0 N-CA-C 103.719 -2.697 . . . . 0.0 103.719 -175.952 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.498 -1.05 0 O-C-N 127.76 3.163 . . . . 0.0 113.533 -176.998 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 -177.704 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.942 0 O-C-N 126.331 2.269 . . . . 0.0 107.603 -178.863 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 120.454 -1.615 . . . . 0.0 110.271 -179.011 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.255 1.352 0 N-CA-C 100.631 -3.84 . . . . 0.0 100.631 178.877 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 C--N 1.314 -1.26 0 CA-C-O 115.212 -2.078 . . . . 0.0 112.105 -179.531 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.817 0 CA-C-N 120.745 1.611 . . . . 0.0 109.604 177.756 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.276 2.449 0 CA-C-N 112.799 -2.0 . . . . 0.0 110.598 178.318 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.305 0 O-C-N 120.945 -1.097 . . . . 0.0 110.429 178.588 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.556 1.196 0 O-C-N 125.765 1.916 . . . . 0.0 110.267 -178.36 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.092 0 O-C-N 127.099 2.749 . . . . 0.0 107.036 178.953 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.597 0 CA-C-O 122.159 0.98 . . . . 0.0 112.892 177.916 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.921 0 O-C-N 117.473 -3.267 . . . . 0.0 114.553 179.715 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.571 1.768 0 O-C-N 125.574 1.796 . . . . 0.0 108.185 179.466 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.566 1 O-C-N 129.198 4.061 . . . . 0.0 109.783 179.167 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 120.033 -1.667 . . . . 0.0 111.837 179.089 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 125.137 1.375 . . . . 0.0 112.731 178.736 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.059 0 C-N-CA 128.002 2.715 . . . . 0.0 114.293 -178.877 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.273 2.305 0 C-N-CA 128.258 2.623 . . . . 0.0 111.499 -178.12 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 C-N-CA 117.63 -1.628 . . . . 0.0 107.413 179.686 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.287 -2.129 0 CA-C-O 117.254 -1.355 . . . . 0.0 109.0 179.364 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.332 0 C-N-CA 122.878 2.385 . . . . 0.0 111.744 179.73 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 0.988 0 O-C-N 118.718 -2.489 . . . . 0.0 115.701 -176.868 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.041 0 C-N-CA 126.669 1.988 . . . . 0.0 110.851 -179.67 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.962 0 C-N-CA 123.426 2.75 . . . . 0.0 115.462 177.902 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 121.331 1.878 . . . . 0.0 113.467 178.003 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 124.971 1.308 . . . . 0.0 108.041 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.84 0 C-N-CA 119.039 -1.064 . . . . 0.0 109.792 179.071 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.603 -0.686 . . . . 0.0 109.274 179.083 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 114.221 -1.354 . . . . 0.0 109.7 179.856 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 119.604 1.093 . . . . 0.0 111.977 -177.955 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-O 117.048 -1.453 . . . . 0.0 111.865 -178.026 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 -178.966 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.448 0 CA-C-N 114.583 -1.189 . . . . 0.0 109.165 179.72 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-O 124.842 2.258 . . . . 0.0 109.392 178.359 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.026 0 CA-C-N 112.754 -2.021 . . . . 0.0 111.306 178.81 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-N 121.141 1.791 . . . . 0.0 112.707 179.833 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.314 0 CA-C-O 118.414 -0.803 . . . . 0.0 112.252 -176.272 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.225 0 O-C-N 124.107 0.879 . . . . 0.0 109.098 -179.319 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-O 115.229 -2.32 . . . . 0.0 110.919 -178.114 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.237 0 O-C-N 127.588 3.055 . . . . 0.0 110.986 178.951 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.797 0 C-N-CA 127.45 2.3 . . . . 0.0 113.758 -177.137 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 125.967 2.042 . . . . 0.0 112.187 -179.884 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.349 0 CA-C-N 121.299 1.863 . . . . 0.0 114.844 179.859 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.59 0 C-N-CA 124.791 1.236 . . . . 0.0 111.417 179.591 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 107.126 -1.435 . . . . 0.0 107.126 178.963 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.209 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 178.161 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 O-C-N 124.797 1.311 . . . . 0.0 110.021 -178.633 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 113.658 -1.61 . . . . 0.0 111.05 178.334 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.522 0 C-N-CA 127.136 2.174 . . . . 0.0 112.562 -178.569 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 113.675 -1.602 . . . . 0.0 111.97 179.779 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-O 116.81 -1.567 . . . . 0.0 111.734 -178.33 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 126.483 2.364 . . . . 0.0 107.561 178.876 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.073 0 C-N-CA 126.423 1.889 . . . . 0.0 113.186 179.239 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.632 -179.238 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.195 0 O-C-N 124.434 1.084 . . . . 0.0 108.188 178.145 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-O 116.591 -1.671 . . . . 0.0 112.103 179.096 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.521 0 N-CA-C 115.894 1.813 . . . . 0.0 115.894 -179.739 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 O-C-N 124.478 1.111 . . . . 0.0 111.087 -177.926 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.128 0 O-C-N 125.437 1.71 . . . . 0.0 111.375 -178.636 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.092 0 C-N-CA 127.361 2.264 . . . . 0.0 107.433 179.108 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 500' ' ' MXT . . . . . 0.924 H111 ' N ' ' A' ' 41' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 600' ' ' MXT . . . . . 0.899 ' O11' H231 ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.78 ' HA ' ' C12' ' A' ' 500' ' ' MXT . 0.0 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 1.265 ' N ' H121 ' A' ' 500' ' ' MXT . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.299 0 O-C-N 125.664 1.852 . . . . 0.0 106.864 170.657 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.767 1 O-C-N 129.199 4.263 . . . . 0.0 107.963 -176.283 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.9 0 CA-C-N 120.954 1.706 . . . . 0.0 112.587 -178.442 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.195 0 CA-C-N 114.221 -1.354 . . . . 0.0 110.926 -178.835 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.199 0 C-N-CA 126.953 2.101 . . . . 0.0 110.207 -177.915 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.256 1.435 0 O-C-N 120.85 -1.156 . . . . 0.0 109.836 179.233 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.553 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 -178.468 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 127.092 2.745 . . . . 0.0 107.822 179.257 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.786 0 CA-C-O 115.457 -2.211 . . . . 0.0 106.443 179.511 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.558 1 O-C-N 130.664 4.977 . . . . 0.0 106.287 177.347 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.126 0 CA-C-O 113.694 -3.051 . . . . 0.0 105.894 -179.831 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-N 121.205 1.821 . . . . 0.0 110.01 -177.759 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.802 0 O-C-N 125.885 1.991 . . . . 0.0 105.776 -176.62 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.391 0 O-C-N 127.525 3.015 . . . . 0.0 112.759 -176.376 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.265 1.911 0 O-C-N 127.254 2.846 . . . . 0.0 112.269 177.645 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.316 -0.89 0 O-C-N 119.091 -2.255 . . . . 0.0 111.899 -179.678 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.331 -0.215 0 O-C-N 126.652 2.47 . . . . 0.0 109.704 -174.852 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.73 0 C-N-CA 124.646 3.564 . . . . 0.0 111.952 179.735 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.84 0 CA-C-N 111.764 -2.471 . . . . 0.0 106.729 179.141 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.241 0 O-C-N 127.503 3.37 . . . . 0.0 107.91 178.982 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.329 -0.497 0 C-N-CA 121.836 1.691 . . . . 0.0 108.304 178.854 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.605 0 O-C-N 127.031 2.707 . . . . 0.0 112.178 179.916 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.984 0 C-N-CA 126.69 1.996 . . . . 0.0 114.915 -174.518 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.705 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 175.06 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 124.853 1.346 . . . . 0.0 113.629 -175.777 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.255 1.39 0 CA-C-O 117.475 -1.25 . . . . 0.0 112.8 -179.38 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.253 1.251 0 CA-C-N 121.691 2.041 . . . . 0.0 114.942 179.636 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.311 -1.427 0 C-N-CA 122.135 1.89 . . . . 0.0 113.315 178.148 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.292 -1.896 0 C-N-CA 129.763 3.225 . . . . 0.0 112.288 178.854 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.055 0 O-C-N 119.402 -2.061 . . . . 0.0 109.547 177.958 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.331 0 CA-C-O 115.594 -2.146 . . . . 0.0 109.235 179.749 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 127.356 2.91 . . . . 0.0 109.386 179.553 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.253 1.242 0 O-C-N 120.346 -1.471 . . . . 0.0 112.868 177.213 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-O 122.062 0.934 . . . . 0.0 113.356 179.044 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.24 0 C-N-CA 126.424 1.89 . . . . 0.0 109.276 179.716 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.776 0 O-C-N 125.13 1.519 . . . . 0.0 110.207 175.88 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.269 2.099 0 C-N-CA 127.099 2.16 . . . . 0.0 114.591 178.862 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 1.993 0 CA-C-O 117.093 -1.948 . . . . 0.0 112.383 178.484 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 118.093 0.946 . . . . 0.0 108.475 179.282 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 176.036 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.938 0 C-N-CA 123.946 0.899 . . . . 0.0 112.851 -179.521 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.256 1.442 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 -175.495 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.095 0 C-N-CA 125.01 1.324 . . . . 0.0 108.108 175.061 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 177.272 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.942 0 CA-C-N 114.326 -1.306 . . . . 0.0 110.104 -179.878 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-O 115.952 -1.975 . . . . 0.0 112.319 178.839 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.566 0 N-CA-C 116.548 2.055 . . . . 0.0 116.548 -174.895 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.594 0 CA-C-O 122.735 1.255 . . . . 0.0 112.275 -178.893 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 122.356 2.037 . . . . 0.0 115.139 -179.56 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 177.615 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.442 0 N-CA-C 115.173 1.546 . . . . 0.0 115.173 178.321 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.098 0 O-C-N 118.295 -2.753 . . . . 0.0 114.671 -179.11 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.293 0 N-CA-C 115.999 1.852 . . . . 0.0 115.999 179.68 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.025 0 CA-C-N 120.252 1.126 . . . . 0.0 114.828 -179.638 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.292 1.037 . . . . 0.0 112.015 179.903 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 O-C-N 125.081 1.488 . . . . 0.0 111.477 -179.742 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.294 0 N-CA-C 116.97 2.211 . . . . 0.0 116.97 179.088 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 127.584 2.354 . . . . 0.0 115.615 -178.091 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.246 0.87 0 N-CA-C 117.14 2.274 . . . . 0.0 117.14 -178.58 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.07 0 CA-C-O 115.66 -2.745 . . . . 0.0 118.853 177.674 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.957 0 CA-C-N 124.198 3.999 . . . . 0.0 111.375 179.736 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-O 115.609 -2.138 . . . . 0.0 106.29 177.47 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.528 0 O-C-N 125.517 1.76 . . . . 0.0 107.607 -178.937 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.258 1.505 0 O-C-N 125.755 1.909 . . . . 0.0 111.484 -179.633 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-O 122.04 0.924 . . . . 0.0 110.696 179.447 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.076 0 N-CA-C 106.778 -1.564 . . . . 0.0 106.778 -179.931 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.266 1.948 0 O-C-N 125.998 2.061 . . . . 0.0 116.25 -179.859 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.813 0 CA-C-O 117.932 -1.032 . . . . 0.0 112.581 -178.239 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.484 1.894 0 N-CA-C 107.836 -2.106 . . . . 0.0 107.836 -178.379 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 125.316 2.484 . . . . 0.0 112.709 -177.84 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.858 0 CA-C-N 110.897 -2.865 . . . . 0.0 110.401 179.231 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -0.994 0 O-C-N 126.398 2.311 . . . . 0.0 105.429 176.635 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.379 0 N-CA-C 117.777 2.51 . . . . 0.0 117.777 -176.49 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 178.784 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 103.821 -2.659 . . . . 0.0 103.821 177.026 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 CA-C-N 111.971 -2.377 . . . . 0.0 108.035 -179.348 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.297 0 N-CA-C 118.553 2.181 . . . . 0.0 118.553 -178.237 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.243 0.715 0 O-C-N 121.478 -1.013 . . . . 0.0 112.253 -179.666 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.644 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -177.167 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.845 0 CA-C-O 124.216 1.96 . . . . 0.0 110.048 -179.766 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.879 0 CA-C-N 113.441 -1.709 . . . . 0.0 108.356 -178.346 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.463 0.476 0 CA-C-N 114.012 -1.449 . . . . 0.0 110.143 179.323 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.328 -0.326 0 O-C-N 124.846 0.969 . . . . 0.0 110.05 179.898 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.981 0 CA-C-N 114.357 -1.292 . . . . 0.0 109.363 179.336 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.213 0 O-C-N 124.557 1.161 . . . . 0.0 110.222 178.856 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.844 0 N-CA-C 119.031 2.373 . . . . 0.0 119.031 -179.665 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.841 0 O-C-N 120.904 -1.351 . . . . 0.0 109.072 179.509 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 178.606 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.911 0 O-C-N 125.701 1.875 . . . . 0.0 110.223 179.162 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.321 0.581 . . . . 0.0 111.872 -179.164 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 115.699 -2.096 . . . . 0.0 108.794 -177.905 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.908 0 O-C-N 127.301 2.875 . . . . 0.0 110.398 178.693 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 117.658 -1.163 . . . . 0.0 109.613 -179.744 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 O-C-N 128.184 3.427 . . . . 0.0 112.832 -177.721 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.254 1.291 0 O-C-N 125.105 1.503 . . . . 0.0 111.729 -178.071 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 123.88 0.872 . . . . 0.0 110.178 178.289 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.94 0 N-CA-C 117.991 2.589 . . . . 0.0 117.991 175.659 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.065 0 C-N-CA 124.099 0.96 . . . . 0.0 109.08 177.53 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 127.438 2.961 . . . . 0.0 111.381 -177.976 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.407 0 C-N-CA 130.029 3.332 . . . . 0.0 108.994 178.317 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.937 0 O-C-N 126.735 2.522 . . . . 0.0 113.771 -178.092 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 115.283 1.586 . . . . 0.0 115.283 -178.413 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 124.708 1.255 . . . . 0.0 109.922 178.522 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.303 -1.444 0 C-N-CA 124.008 0.923 . . . . 0.0 109.182 179.025 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.89 0 C-N-CA 123.473 0.709 . . . . 0.0 112.68 -178.476 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-O 116.949 -1.501 . . . . 0.0 110.999 -177.835 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.679 0 CA-C-O 116.769 -1.586 . . . . 0.0 110.711 -176.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.252 1.202 0 CA-C-N 119.569 1.077 . . . . 0.0 112.88 -178.915 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 124.988 1.315 . . . . 0.0 111.686 -178.491 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 125.044 1.465 . . . . 0.0 108.302 -179.571 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 126.515 2.384 . . . . 0.0 111.642 -178.952 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.025 0 C-N-CA 120.155 -0.618 . . . . 0.0 110.484 177.591 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 -177.719 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 125.637 1.575 . . . . 0.0 111.251 177.39 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.466 0.656 0 O-C-N 121.295 -0.878 . . . . 0.0 114.245 -179.428 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 179.202 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 119.882 -1.762 . . . . 0.0 109.633 -179.339 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.44 -0.928 0 N-CA-C 116.386 1.995 . . . . 0.0 116.386 -176.948 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 125.308 1.63 . . . . 0.0 110.273 -176.687 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 112.514 -2.13 . . . . 0.0 108.332 176.014 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 N-CA-C 104.506 -2.405 . . . . 0.0 104.506 178.507 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 125.358 1.661 . . . . 0.0 108.303 -177.713 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.289 0 O-C-N 125.896 1.998 . . . . 0.0 110.957 -175.497 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.474 -2.482 0 O-C-N 126.248 2.709 . . . . 0.0 115.035 -176.524 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.522 0 O-C-N 120.434 -1.416 . . . . 0.0 113.847 177.664 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.256 1.398 0 N-CA-C 115.567 1.692 . . . . 0.0 115.567 -176.962 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.264 1.821 0 CA-C-O 115.105 -2.379 . . . . 0.0 112.785 -178.685 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.615 0 CA-C-N 120.885 1.675 . . . . 0.0 114.859 -178.0 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.044 0 C-N-CA 127.035 2.134 . . . . 0.0 111.196 -179.561 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 O-C-N 126.265 2.228 . . . . 0.0 110.445 -179.682 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 125.374 1.47 . . . . 0.0 107.101 177.813 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.711 0 C-N-CA 126.614 1.965 . . . . 0.0 112.58 179.032 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.252 1.201 0 CA-C-N 113.182 -1.826 . . . . 0.0 111.389 -177.691 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.144 0 C-N-CA 123.826 0.85 . . . . 0.0 113.175 -179.085 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 104.168 -2.53 . . . . 0.0 104.168 177.425 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 104.871 -2.27 . . . . 0.0 104.871 178.571 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 128.464 3.603 . . . . 0.0 117.018 -175.635 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.296 0 N-CA-C 105.307 -3.117 . . . . 0.0 105.307 177.069 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.273 2.316 0 O-C-N 128.509 3.123 . . . . 0.0 106.506 179.767 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.83 0 C-N-CA 118.971 -1.091 . . . . 0.0 112.746 -177.618 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.789 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 177.553 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.244 0.793 0 CA-C-O 122.449 1.118 . . . . 0.0 108.1 176.429 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 121.465 1.443 . . . . 0.0 111.898 -179.752 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 177.025 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 105.357 -2.09 . . . . 0.0 105.357 177.481 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 122.759 1.266 . . . . 0.0 110.073 -176.914 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.193 0 CA-C-N 112.639 -2.073 . . . . 0.0 112.808 179.018 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.309 -1.186 0 CA-C-N 118.196 0.998 . . . . 0.0 110.748 179.597 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.451 -0.977 0 O-C-N 123.505 1.266 . . . . 0.0 111.66 177.314 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 103.117 -2.92 . . . . 0.0 103.117 178.618 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.306 -1.31 0 O-C-N 126.862 2.601 . . . . 0.0 112.253 -178.886 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.44 -1.662 0 N-CA-C 107.574 -1.741 . . . . 0.0 107.574 -179.941 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.292 -1.925 0 O-C-N 128.066 3.354 . . . . 0.0 102.992 179.475 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.266 1.945 0 CA-C-O 116.014 -1.946 . . . . 0.0 108.806 178.835 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.544 1.876 0 N-CA-C 104.061 -3.616 . . . . 0.0 104.061 -178.984 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.513 0 CA-C-O 115.706 -2.093 . . . . 0.0 109.475 -178.939 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.737 0 N-CA-C 103.679 -2.712 . . . . 0.0 103.679 -178.628 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.092 0 O-C-N 127.744 3.152 . . . . 0.0 113.536 -179.107 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 -177.837 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.914 0 O-C-N 126.308 2.255 . . . . 0.0 107.621 -179.35 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.351 -2.264 . . . . 0.0 110.271 -177.55 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--N 1.305 -1.351 0 O-C-N 116.365 -3.96 . . . . 0.0 100.621 -173.123 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.317 0 CA-C-O 115.234 -2.069 . . . . 0.0 112.091 179.925 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.819 0 CA-C-N 120.7 1.591 . . . . 0.0 109.563 177.803 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.42 0 CA-C-N 112.789 -2.005 . . . . 0.0 110.61 178.305 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.292 0 O-C-N 120.912 -1.117 . . . . 0.0 110.467 178.518 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.556 1.201 0 O-C-N 125.861 1.976 . . . . 0.0 110.221 -178.321 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.07 0 O-C-N 127.057 2.723 . . . . 0.0 107.055 178.952 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.484 -1.592 0 CA-C-O 122.232 1.015 . . . . 0.0 112.94 177.896 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.44 -0.927 0 O-C-N 117.483 -3.261 . . . . 0.0 114.596 179.697 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.805 0 O-C-N 125.615 1.822 . . . . 0.0 108.146 179.484 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.582 1 O-C-N 129.285 4.116 . . . . 0.0 109.753 179.214 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 120.033 -1.667 . . . . 0.0 111.885 179.024 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 125.134 1.374 . . . . 0.0 112.77 178.738 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.29 -2.006 0 C-N-CA 127.968 2.699 . . . . 0.0 114.354 -178.798 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.281 0 C-N-CA 128.232 2.613 . . . . 0.0 111.489 -178.775 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 C-N-CA 117.597 -1.641 . . . . 0.0 107.394 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.287 -2.12 0 CA-C-O 117.262 -1.352 . . . . 0.0 109.011 179.906 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 N--CA 1.49 1.31 0 C-N-CA 122.854 2.37 . . . . 0.0 111.725 179.349 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.026 0 O-C-N 118.682 -2.511 . . . . 0.0 115.686 -178.068 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.041 0 C-N-CA 126.613 1.965 . . . . 0.0 110.903 -179.112 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.942 0 C-N-CA 123.37 2.713 . . . . 0.0 115.545 179.053 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-N 121.277 1.853 . . . . 0.0 113.417 177.999 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.803 0 C-N-CA 124.976 1.31 . . . . 0.0 108.014 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.834 0 C-N-CA 119.086 -1.046 . . . . 0.0 109.748 179.102 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.585 -0.697 . . . . 0.0 109.304 179.108 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-N 114.214 -1.357 . . . . 0.0 109.763 179.831 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 119.612 1.096 . . . . 0.0 111.941 -178.004 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 117.061 -1.447 . . . . 0.0 111.82 -178.01 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 -178.945 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.45 0 CA-C-N 114.57 -1.196 . . . . 0.0 109.19 179.724 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-O 124.888 2.28 . . . . 0.0 109.45 178.278 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.497 -1.064 0 CA-C-N 112.745 -2.025 . . . . 0.0 111.333 178.756 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.725 0 CA-C-N 121.155 1.798 . . . . 0.0 112.749 179.858 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.29 0 CA-C-O 118.428 -0.796 . . . . 0.0 112.272 -176.314 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 O-C-N 124.061 0.851 . . . . 0.0 109.066 -179.331 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-O 115.178 -2.344 . . . . 0.0 110.858 -178.077 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.235 0 O-C-N 127.556 3.035 . . . . 0.0 111.057 178.97 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.773 0 C-N-CA 127.32 2.248 . . . . 0.0 113.751 -177.122 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 125.927 2.017 . . . . 0.0 112.221 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.255 1.42 0 CA-C-N 121.275 1.852 . . . . 0.0 114.817 179.84 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.581 0 C-N-CA 124.812 1.245 . . . . 0.0 111.422 179.571 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 107.151 -1.426 . . . . 0.0 107.151 178.928 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.307 -1.243 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 178.256 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 O-C-N 124.823 1.327 . . . . 0.0 110.043 -178.623 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 113.663 -1.608 . . . . 0.0 111.023 178.338 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 127.125 2.17 . . . . 0.0 112.531 -178.566 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 113.735 -1.575 . . . . 0.0 111.966 179.766 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.241 0.652 0 CA-C-O 116.792 -1.575 . . . . 0.0 111.724 -178.292 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 126.501 2.376 . . . . 0.0 107.569 178.883 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 C--N 1.313 -1.013 0 C-N-CA 126.372 1.869 . . . . 0.0 113.124 179.23 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.625 -179.19 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.308 -1.198 0 O-C-N 124.429 1.081 . . . . 0.0 108.218 178.116 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-O 116.524 -1.703 . . . . 0.0 112.101 179.038 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.511 0 N-CA-C 115.868 1.803 . . . . 0.0 115.868 -179.721 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 O-C-N 124.433 1.083 . . . . 0.0 111.146 -177.928 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.133 0 O-C-N 125.441 1.713 . . . . 0.0 111.361 -178.68 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.089 0 C-N-CA 127.306 2.242 . . . . 0.0 107.421 179.128 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 500' ' ' MXT . . . . . 1.265 H121 ' N ' ' A' ' 42' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 600' ' ' MXT . . . . . 0.463 ' O12' H221 ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 1.001 ' HA ' H122 ' A' ' 500' ' ' MXT . 0.5 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.31 0 O-C-N 125.664 1.852 . . . . 0.0 106.838 164.205 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.73 1 O-C-N 129.14 4.231 . . . . 0.0 107.988 -171.311 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.937 0 CA-C-N 121.017 1.735 . . . . 0.0 112.663 -178.85 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.186 0 CA-C-N 114.25 -1.341 . . . . 0.0 110.95 -176.084 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.198 0 C-N-CA 126.979 2.112 . . . . 0.0 110.262 -175.606 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.463 0 O-C-N 120.888 -1.133 . . . . 0.0 109.84 179.629 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.601 0 N-CA-C 105.943 -1.873 . . . . 0.0 105.943 -176.776 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 127.128 2.767 . . . . 0.0 107.803 177.281 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.57 1.748 0 CA-C-O 115.417 -2.23 . . . . 0.0 106.488 179.352 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.511 2.579 1 O-C-N 130.692 4.995 . . . . 0.0 106.294 177.156 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.091 0 CA-C-O 113.731 -3.033 . . . . 0.0 105.875 -179.861 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-N 121.108 1.777 . . . . 0.0 110.068 -177.787 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.783 0 O-C-N 125.904 2.003 . . . . 0.0 105.826 -176.67 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.377 0 O-C-N 127.512 3.008 . . . . 0.0 112.802 -176.38 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.267 2.001 0 O-C-N 127.18 2.8 . . . . 0.0 112.269 177.615 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.926 0 O-C-N 119.044 -2.285 . . . . 0.0 111.896 -179.687 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.331 -0.203 0 O-C-N 126.658 2.474 . . . . 0.0 109.743 -174.904 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.325 -0.701 0 C-N-CA 124.689 3.593 . . . . 0.0 111.935 179.73 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.833 0 CA-C-N 111.682 -2.508 . . . . 0.0 106.762 179.175 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.237 0 O-C-N 127.486 3.361 . . . . 0.0 107.936 179.0 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.538 0 C-N-CA 121.859 1.706 . . . . 0.0 108.3 178.877 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.622 0 O-C-N 127.081 2.738 . . . . 0.0 112.127 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.291 -1.961 0 C-N-CA 126.794 2.038 . . . . 0.0 114.955 -174.499 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.698 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 175.02 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 124.913 1.383 . . . . 0.0 113.629 -175.826 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.446 0 CA-C-O 117.409 -1.281 . . . . 0.0 112.746 -179.363 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.313 0 CA-C-N 121.752 2.069 . . . . 0.0 114.949 179.598 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.463 0 C-N-CA 122.175 1.916 . . . . 0.0 113.294 178.09 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.915 0 C-N-CA 129.784 3.234 . . . . 0.0 112.309 178.87 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.311 -1.073 0 O-C-N 119.407 -2.058 . . . . 0.0 109.541 177.944 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.337 0 CA-C-O 115.573 -2.156 . . . . 0.0 109.239 179.716 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 127.406 2.941 . . . . 0.0 109.38 179.592 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.253 1.266 0 O-C-N 120.31 -1.493 . . . . 0.0 112.838 177.219 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-O 122.06 0.934 . . . . 0.0 113.354 179.037 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.251 0 C-N-CA 126.453 1.901 . . . . 0.0 109.256 179.776 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.766 0 O-C-N 125.12 1.512 . . . . 0.0 110.244 175.856 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.269 2.13 0 C-N-CA 127.107 2.163 . . . . 0.0 114.593 178.828 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.012 0 CA-C-O 117.094 -1.948 . . . . 0.0 112.36 178.456 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-N 118.119 0.96 . . . . 0.0 108.486 179.279 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 176.036 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.246 0.915 0 C-N-CA 123.923 0.889 . . . . 0.0 112.851 -179.493 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.464 0 N-CA-C 114.996 1.48 . . . . 0.0 114.996 -175.548 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.095 0 C-N-CA 125.059 1.344 . . . . 0.0 108.121 175.092 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 177.254 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.21 -0.982 0 CA-C-N 114.288 -1.324 . . . . 0.0 110.094 -179.912 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-O 115.985 -1.96 . . . . 0.0 112.295 178.844 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.587 0 N-CA-C 116.581 2.067 . . . . 0.0 116.581 -174.941 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.613 0 CA-C-O 122.764 1.268 . . . . 0.0 112.29 -178.926 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 122.4 2.067 . . . . 0.0 115.138 -179.576 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 107.502 -1.296 . . . . 0.0 107.502 177.627 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.405 0 N-CA-C 115.198 1.555 . . . . 0.0 115.198 178.299 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.497 -1.096 0 O-C-N 118.382 -2.699 . . . . 0.0 114.636 -179.093 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.322 0 N-CA-C 115.94 1.83 . . . . 0.0 115.94 179.689 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.058 0 CA-C-N 120.314 1.148 . . . . 0.0 114.863 -179.6 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.274 1.03 . . . . 0.0 111.996 179.886 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 O-C-N 125.07 1.482 . . . . 0.0 111.477 -179.753 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.342 0 N-CA-C 116.965 2.209 . . . . 0.0 116.965 179.069 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 127.645 2.378 . . . . 0.0 115.565 -178.097 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.862 0 N-CA-C 117.123 2.268 . . . . 0.0 117.123 -178.548 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.482 -2.022 0 CA-C-O 115.671 -2.738 . . . . 0.0 118.831 177.646 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.969 0 CA-C-N 124.197 3.998 . . . . 0.0 111.366 179.696 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-O 115.607 -2.14 . . . . 0.0 106.236 177.501 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.509 0 O-C-N 125.546 1.779 . . . . 0.0 107.682 -179.029 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.45 0 O-C-N 125.761 1.913 . . . . 0.0 111.485 -179.685 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-O 122.086 0.946 . . . . 0.0 110.712 179.479 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.027 0 N-CA-C 106.748 -1.575 . . . . 0.0 106.748 -179.91 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.266 1.953 0 O-C-N 126.045 2.09 . . . . 0.0 116.228 -179.835 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.789 0 CA-C-O 117.902 -1.047 . . . . 0.0 112.59 -178.27 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 1.999 0 N-CA-C 107.808 -2.117 . . . . 0.0 107.808 -178.406 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 125.354 2.502 . . . . 0.0 112.662 -177.818 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.825 0 CA-C-N 110.864 -2.88 . . . . 0.0 110.465 179.17 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -0.99 0 O-C-N 126.41 2.319 . . . . 0.0 105.424 176.657 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.395 0 N-CA-C 117.824 2.527 . . . . 0.0 117.824 -176.578 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 178.85 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 103.814 -2.661 . . . . 0.0 103.814 177.043 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 CA-C-N 112.012 -2.358 . . . . 0.0 108.01 -179.281 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.344 0 N-CA-C 118.532 2.173 . . . . 0.0 118.532 -178.247 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.662 0 O-C-N 121.465 -1.021 . . . . 0.0 112.253 -179.652 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.649 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -177.198 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.858 0 CA-C-O 124.218 1.961 . . . . 0.0 110.061 -179.814 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.247 0.924 0 CA-C-N 113.396 -1.729 . . . . 0.0 108.408 -178.445 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.464 0.517 0 CA-C-N 114.033 -1.44 . . . . 0.0 110.203 179.278 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 124.83 0.959 . . . . 0.0 110.008 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.994 0 CA-C-N 114.353 -1.294 . . . . 0.0 109.311 179.34 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.201 0 O-C-N 124.563 1.165 . . . . 0.0 110.2 178.878 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.838 0 N-CA-C 119.05 2.38 . . . . 0.0 119.05 -179.617 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.214 -0.814 0 O-C-N 120.837 -1.39 . . . . 0.0 109.084 179.45 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.308 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 178.657 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.903 0 O-C-N 125.618 1.824 . . . . 0.0 110.227 179.13 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.317 0.579 . . . . 0.0 111.9 -179.199 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 115.727 -2.083 . . . . 0.0 108.803 -177.904 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.909 0 O-C-N 127.312 2.882 . . . . 0.0 110.357 178.745 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 117.675 -1.155 . . . . 0.0 109.532 -179.651 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 O-C-N 128.156 3.41 . . . . 0.0 112.824 -177.714 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.246 0 O-C-N 125.159 1.537 . . . . 0.0 111.769 -178.068 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 123.88 0.872 . . . . 0.0 110.199 178.248 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.292 -1.906 0 N-CA-C 118.085 2.624 . . . . 0.0 118.085 175.7 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.311 -1.074 0 C-N-CA 124.134 0.974 . . . . 0.0 109.081 177.51 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 127.424 2.952 . . . . 0.0 111.363 -177.88 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.305 -1.361 0 C-N-CA 130.019 3.328 . . . . 0.0 108.993 178.297 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.246 0.918 0 O-C-N 126.716 2.51 . . . . 0.0 113.748 -178.135 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 115.284 1.586 . . . . 0.0 115.284 -178.435 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 124.719 1.262 . . . . 0.0 109.924 178.516 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.383 0 C-N-CA 123.985 0.914 . . . . 0.0 109.165 179.028 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 123.508 0.723 . . . . 0.0 112.708 -178.467 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-O 116.976 -1.488 . . . . 0.0 110.993 -177.854 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 CA-C-O 116.737 -1.601 . . . . 0.0 110.729 -176.968 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.252 1.185 0 CA-C-N 119.552 1.069 . . . . 0.0 112.849 -178.914 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 124.959 1.304 . . . . 0.0 111.69 -178.459 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 125.06 1.475 . . . . 0.0 108.292 -179.615 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.295 -1.769 0 O-C-N 126.59 2.431 . . . . 0.0 111.624 -178.939 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.249 1.049 0 C-N-CA 120.149 -0.621 . . . . 0.0 110.484 177.534 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -177.719 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.524 0 C-N-CA 125.629 1.571 . . . . 0.0 111.228 177.408 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.466 0.674 0 O-C-N 121.319 -0.863 . . . . 0.0 114.255 -179.409 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.613 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 179.235 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.652 0 O-C-N 119.773 -1.829 . . . . 0.0 109.686 -179.326 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.895 0 N-CA-C 116.362 1.986 . . . . 0.0 116.362 -176.973 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 125.293 1.621 . . . . 0.0 110.304 -176.618 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 112.542 -2.117 . . . . 0.0 108.3 176.018 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 N-CA-C 104.506 -2.405 . . . . 0.0 104.506 178.456 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 125.417 1.698 . . . . 0.0 108.268 -177.702 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.304 -1.244 0 O-C-N 125.895 1.997 . . . . 0.0 110.959 -175.579 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.443 0 O-C-N 126.298 2.736 . . . . 0.0 115.02 -176.465 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.522 0 O-C-N 120.384 -1.448 . . . . 0.0 113.784 177.716 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.386 0 N-CA-C 115.582 1.697 . . . . 0.0 115.582 -176.984 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 115.091 -2.385 . . . . 0.0 112.769 -178.702 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.653 0 CA-C-N 120.909 1.686 . . . . 0.0 114.879 -177.993 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.037 0 C-N-CA 127.075 2.15 . . . . 0.0 111.23 -179.574 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 O-C-N 126.208 2.192 . . . . 0.0 110.468 -179.772 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 125.368 1.467 . . . . 0.0 107.088 177.885 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.261 1.705 0 C-N-CA 126.52 1.928 . . . . 0.0 112.658 179.005 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.172 0 CA-C-N 113.164 -1.834 . . . . 0.0 111.455 -177.768 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.309 -1.189 0 C-N-CA 123.853 0.861 . . . . 0.0 113.17 -179.119 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 104.117 -2.549 . . . . 0.0 104.117 177.451 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 104.849 -2.278 . . . . 0.0 104.849 178.63 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 128.496 3.622 . . . . 0.0 116.973 -175.598 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.331 0 N-CA-C 105.315 -3.114 . . . . 0.0 105.315 177.073 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.366 0 O-C-N 128.516 3.127 . . . . 0.0 106.544 179.757 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.839 0 C-N-CA 118.985 -1.086 . . . . 0.0 112.724 -177.646 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.775 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 177.518 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.244 0.805 0 CA-C-O 122.455 1.121 . . . . 0.0 108.078 176.455 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.289 0 C-N-CA 121.469 1.446 . . . . 0.0 111.903 -179.741 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 177.049 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 105.304 -2.11 . . . . 0.0 105.304 177.505 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 122.781 1.277 . . . . 0.0 110.098 -176.937 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.25 1.156 0 CA-C-N 112.692 -2.049 . . . . 0.0 112.815 179.848 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.309 -1.196 0 CA-C-N 118.132 0.966 . . . . 0.0 110.747 179.905 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.95 0 O-C-N 123.477 1.251 . . . . 0.0 111.672 177.069 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.035 0 N-CA-C 103.194 -2.891 . . . . 0.0 103.194 178.703 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.338 0 O-C-N 126.836 2.585 . . . . 0.0 112.232 -178.913 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.44 -1.675 0 N-CA-C 107.595 -1.733 . . . . 0.0 107.595 -179.456 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.292 -1.934 0 O-C-N 128.056 3.348 . . . . 0.0 103.038 179.176 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.997 0 CA-C-O 115.994 -1.955 . . . . 0.0 108.79 -179.799 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.544 1.872 0 N-CA-C 104.055 -3.618 . . . . 0.0 104.055 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.516 0 CA-C-O 115.728 -2.082 . . . . 0.0 109.457 -178.314 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.714 0 N-CA-C 103.725 -2.694 . . . . 0.0 103.725 -179.296 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.068 0 O-C-N 127.773 3.171 . . . . 0.0 113.486 -179.739 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 -176.752 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.501 2.972 0 O-C-N 126.303 2.252 . . . . 0.0 107.649 179.858 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 118.18 -2.953 . . . . 0.0 110.271 -177.191 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.326 0 N-CA-C 100.625 -3.843 . . . . 0.0 100.625 -173.031 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.299 0 CA-C-O 115.224 -2.074 . . . . 0.0 112.097 175.661 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.272 -2.795 0 CA-C-N 120.718 1.599 . . . . 0.0 109.614 177.733 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.276 2.465 0 CA-C-N 112.852 -1.977 . . . . 0.0 110.591 178.316 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.309 0 O-C-N 120.927 -1.108 . . . . 0.0 110.436 178.551 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.556 1.192 0 O-C-N 125.82 1.95 . . . . 0.0 110.257 -178.346 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.289 -2.048 0 O-C-N 127.066 2.729 . . . . 0.0 107.054 178.954 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.484 -1.584 0 CA-C-O 122.176 0.989 . . . . 0.0 112.913 177.908 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.88 0 O-C-N 117.5 -3.25 . . . . 0.0 114.573 179.664 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.571 1.78 0 O-C-N 125.632 1.832 . . . . 0.0 108.114 179.544 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.57 1 O-C-N 129.206 4.066 . . . . 0.0 109.77 179.214 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 120.085 -1.635 . . . . 0.0 111.833 179.054 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.509 0 C-N-CA 125.113 1.365 . . . . 0.0 112.784 178.736 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.072 0 C-N-CA 127.989 2.709 . . . . 0.0 114.323 177.914 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.273 2.308 0 C-N-CA 128.298 2.639 . . . . 0.0 111.548 179.923 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 C-N-CA 117.623 -1.631 . . . . 0.0 107.403 178.706 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.095 0 CA-C-O 117.293 -1.337 . . . . 0.0 108.989 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 122.857 2.371 . . . . 0.0 111.769 177.893 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.249 1.039 0 O-C-N 118.68 -2.512 . . . . 0.0 115.683 -177.175 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.047 0 C-N-CA 126.6 1.96 . . . . 0.0 110.916 175.736 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.506 -0.922 0 C-N-CA 123.402 2.735 . . . . 0.0 115.516 178.456 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.298 -1.657 0 CA-C-N 121.262 1.847 . . . . 0.0 113.442 178.014 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 124.994 1.318 . . . . 0.0 108.03 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.844 0 C-N-CA 119.066 -1.054 . . . . 0.0 109.768 179.105 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.609 -0.682 . . . . 0.0 109.287 179.112 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 C--O 1.243 0.746 0 CA-C-N 114.272 -1.331 . . . . 0.0 109.73 179.839 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-N 119.567 1.076 . . . . 0.0 111.957 -177.963 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-O 117.015 -1.469 . . . . 0.0 111.822 -178.024 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 115.072 1.508 . . . . 0.0 115.072 -178.944 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.474 0 CA-C-N 114.518 -1.219 . . . . 0.0 109.174 179.768 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-O 124.844 2.259 . . . . 0.0 109.39 178.307 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.499 -1.007 0 CA-C-N 112.78 -2.009 . . . . 0.0 111.295 178.768 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-N 121.099 1.772 . . . . 0.0 112.724 179.879 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.253 1.289 0 CA-C-O 118.438 -0.792 . . . . 0.0 112.24 -176.274 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 O-C-N 124.119 0.887 . . . . 0.0 109.086 -179.304 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-O 115.254 -2.308 . . . . 0.0 110.907 -178.119 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.222 0 O-C-N 127.521 3.013 . . . . 0.0 111.011 178.995 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.8 0 C-N-CA 127.381 2.272 . . . . 0.0 113.759 -177.138 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 126.005 2.066 . . . . 0.0 112.2 -179.929 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.255 1.421 0 CA-C-N 121.339 1.881 . . . . 0.0 114.844 179.868 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.26 1.606 0 C-N-CA 124.845 1.258 . . . . 0.0 111.38 179.572 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 178.938 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 178.26 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 O-C-N 124.82 1.325 . . . . 0.0 110.057 -178.68 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-N 113.613 -1.631 . . . . 0.0 111.043 178.321 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.528 0 C-N-CA 127.194 2.197 . . . . 0.0 112.513 -178.581 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 113.698 -1.592 . . . . 0.0 111.976 179.805 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-O 116.76 -1.591 . . . . 0.0 111.684 -178.304 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 126.549 2.405 . . . . 0.0 107.545 178.855 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.043 0 C-N-CA 126.439 1.895 . . . . 0.0 113.146 179.262 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.624 -179.195 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 124.398 1.061 . . . . 0.0 108.232 178.112 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-O 116.543 -1.694 . . . . 0.0 112.138 179.037 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.257 1.467 0 N-CA-C 115.898 1.814 . . . . 0.0 115.898 -179.721 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 O-C-N 124.478 1.111 . . . . 0.0 111.118 -177.96 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.309 -1.156 0 O-C-N 125.423 1.702 . . . . 0.0 111.383 -178.665 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.058 0 C-N-CA 127.265 2.226 . . . . 0.0 107.437 179.154 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 500' ' ' MXT . . . . . 1.001 H122 ' HA ' ' A' ' 41' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 600' ' ' MXT . . . . . 0.754 H231 ' O12' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.956 ' H ' ' C11' ' A' ' 500' ' ' MXT . 25.8 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.299 0 O-C-N 125.664 1.852 . . . . 0.0 106.887 170.657 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.745 1 O-C-N 129.198 4.262 . . . . 0.0 107.997 -176.56 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.938 0 CA-C-N 121.021 1.737 . . . . 0.0 112.668 -178.467 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.193 0 CA-C-N 114.221 -1.354 . . . . 0.0 110.885 -177.384 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.154 0 C-N-CA 126.958 2.103 . . . . 0.0 110.226 -176.78 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.456 0 O-C-N 120.929 -1.107 . . . . 0.0 109.835 177.562 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.577 0 N-CA-C 105.914 -1.884 . . . . 0.0 105.914 -176.217 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 127.155 2.784 . . . . 0.0 107.839 178.036 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.765 0 CA-C-O 115.5 -2.191 . . . . 0.0 106.394 177.58 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.56 1 O-C-N 130.657 4.973 . . . . 0.0 106.316 177.352 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.133 0 CA-C-O 113.7 -3.048 . . . . 0.0 105.846 -179.804 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.489 1.482 0 CA-C-N 121.128 1.785 . . . . 0.0 110.018 -177.773 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 125.907 2.004 . . . . 0.0 105.827 -176.627 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.363 0 O-C-N 127.542 3.026 . . . . 0.0 112.746 -176.332 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.961 0 O-C-N 127.267 2.855 . . . . 0.0 112.256 177.62 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 122.146 2.248 . . . . 0.0 111.94 -179.669 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.331 -0.198 0 O-C-N 126.631 2.457 . . . . 0.0 109.714 -174.915 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.714 0 C-N-CA 124.657 3.571 . . . . 0.0 111.936 179.72 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.477 0.876 0 CA-C-N 111.753 -2.476 . . . . 0.0 106.722 179.163 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.239 0 O-C-N 127.52 3.379 . . . . 0.0 107.902 178.971 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.523 0 C-N-CA 121.85 1.7 . . . . 0.0 108.281 178.885 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.595 0 O-C-N 127.07 2.732 . . . . 0.0 112.137 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.989 0 C-N-CA 126.741 2.016 . . . . 0.0 114.89 -174.47 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.689 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 174.977 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.287 0 O-C-N 124.872 1.357 . . . . 0.0 113.659 -175.848 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.436 0 CA-C-O 117.405 -1.283 . . . . 0.0 112.794 -179.413 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.306 0 CA-C-N 121.729 2.059 . . . . 0.0 114.962 179.533 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.492 0 C-N-CA 122.181 1.92 . . . . 0.0 113.268 178.119 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.292 -1.892 0 C-N-CA 129.797 3.239 . . . . 0.0 112.282 178.889 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.311 -1.081 0 O-C-N 119.431 -2.043 . . . . 0.0 109.469 178.006 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.559 1.319 0 CA-C-O 115.594 -2.146 . . . . 0.0 109.206 179.744 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 127.36 2.913 . . . . 0.0 109.372 179.627 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.204 0 O-C-N 120.272 -1.517 . . . . 0.0 112.889 177.185 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 122.047 0.927 . . . . 0.0 113.375 179.044 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.259 0 C-N-CA 126.475 1.91 . . . . 0.0 109.26 179.728 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.787 0 O-C-N 125.095 1.497 . . . . 0.0 110.232 175.883 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.171 0 C-N-CA 127.062 2.145 . . . . 0.0 114.588 178.812 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 1.974 0 CA-C-O 117.135 -1.925 . . . . 0.0 112.398 178.482 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-N 118.108 0.954 . . . . 0.0 108.477 179.287 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 176.005 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.948 0 C-N-CA 123.894 0.878 . . . . 0.0 112.858 -179.47 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.46 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 -175.498 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.31 -1.117 0 C-N-CA 125.071 1.348 . . . . 0.0 108.072 175.083 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 177.194 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.927 0 CA-C-N 114.31 -1.314 . . . . 0.0 110.105 -179.914 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-O 115.984 -1.96 . . . . 0.0 112.361 178.797 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.571 0 N-CA-C 116.563 2.061 . . . . 0.0 116.563 -174.894 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.602 0 CA-C-O 122.687 1.232 . . . . 0.0 112.345 -178.928 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.448 -1.188 0 C-N-CA 122.378 2.052 . . . . 0.0 115.125 -179.571 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 177.627 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.425 0 N-CA-C 115.172 1.545 . . . . 0.0 115.172 178.338 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.113 0 O-C-N 118.297 -2.752 . . . . 0.0 114.637 -179.063 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.255 1.349 0 N-CA-C 115.915 1.82 . . . . 0.0 115.915 179.719 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.055 0 CA-C-N 120.316 1.149 . . . . 0.0 114.829 -179.609 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.286 1.034 . . . . 0.0 112.003 179.897 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 O-C-N 125.165 1.541 . . . . 0.0 111.481 -179.712 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.255 1.354 0 N-CA-C 116.882 2.178 . . . . 0.0 116.882 179.093 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 127.574 2.35 . . . . 0.0 115.653 -178.081 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.246 0.896 0 N-CA-C 117.079 2.251 . . . . 0.0 117.079 -178.55 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.051 0 CA-C-O 115.656 -2.747 . . . . 0.0 118.849 177.634 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.969 0 CA-C-N 124.199 4.0 . . . . 0.0 111.366 179.704 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-O 115.647 -2.121 . . . . 0.0 106.224 177.581 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.302 -1.499 0 O-C-N 125.513 1.758 . . . . 0.0 107.645 -179.038 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.483 0 O-C-N 125.715 1.884 . . . . 0.0 111.484 -179.661 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-O 122.104 0.954 . . . . 0.0 110.742 179.456 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.077 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 -179.859 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 2.014 0 O-C-N 126.044 2.09 . . . . 0.0 116.166 -179.769 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.765 0 CA-C-O 117.972 -1.013 . . . . 0.0 112.609 -178.265 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 2.003 0 N-CA-C 107.786 -2.126 . . . . 0.0 107.786 -178.431 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 125.325 2.488 . . . . 0.0 112.664 -177.831 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.837 0 CA-C-N 110.928 -2.851 . . . . 0.0 110.387 179.232 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 126.395 2.309 . . . . 0.0 105.402 176.647 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.4 0 N-CA-C 117.828 2.529 . . . . 0.0 117.828 -176.552 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.838 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 103.83 -2.656 . . . . 0.0 103.83 177.085 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 CA-C-N 112.015 -2.357 . . . . 0.0 108.036 -179.323 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.334 0 N-CA-C 118.583 2.193 . . . . 0.0 118.583 -178.24 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.241 0.648 0 O-C-N 121.494 -1.004 . . . . 0.0 112.253 -179.645 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.675 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -177.164 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.86 0 CA-C-O 124.251 1.977 . . . . 0.0 110.055 -179.782 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.245 0.855 0 CA-C-N 113.412 -1.722 . . . . 0.0 108.423 -178.425 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.463 0.455 0 CA-C-N 114.049 -1.432 . . . . 0.0 110.154 179.281 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 124.796 0.939 . . . . 0.0 110.048 179.887 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 1.01 0 CA-C-N 114.373 -1.285 . . . . 0.0 109.354 179.325 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.187 0 O-C-N 124.53 1.144 . . . . 0.0 110.189 178.877 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.831 0 N-CA-C 119.049 2.38 . . . . 0.0 119.049 -179.68 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 120.896 -1.355 . . . . 0.0 109.101 179.505 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 178.598 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.264 1.852 0 O-C-N 125.699 1.874 . . . . 0.0 110.307 179.103 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.351 0.596 . . . . 0.0 111.927 -179.187 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 115.743 -2.075 . . . . 0.0 108.812 -177.964 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.899 0 O-C-N 127.23 2.831 . . . . 0.0 110.331 178.775 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 117.639 -1.172 . . . . 0.0 109.55 -179.69 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 O-C-N 128.198 3.436 . . . . 0.0 112.873 -177.722 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.242 0 O-C-N 125.132 1.52 . . . . 0.0 111.718 -178.075 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 123.895 0.878 . . . . 0.0 110.178 178.281 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.943 0 N-CA-C 118.057 2.614 . . . . 0.0 118.057 175.724 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.046 0 C-N-CA 124.12 0.968 . . . . 0.0 109.116 177.46 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 127.407 2.942 . . . . 0.0 111.418 -177.957 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 129.958 3.303 . . . . 0.0 108.972 178.324 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.246 0.92 0 O-C-N 126.798 2.561 . . . . 0.0 113.761 -178.111 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 115.294 1.59 . . . . 0.0 115.294 -178.488 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 124.725 1.266 . . . . 0.0 109.879 178.543 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.303 -1.436 0 C-N-CA 124.035 0.934 . . . . 0.0 109.219 178.997 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 123.471 0.708 . . . . 0.0 112.741 -178.507 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-O 116.981 -1.485 . . . . 0.0 110.963 -177.819 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.678 0 CA-C-O 116.777 -1.582 . . . . 0.0 110.679 -176.984 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.16 0 CA-C-N 119.559 1.072 . . . . 0.0 112.798 -178.809 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 124.945 1.298 . . . . 0.0 111.73 -178.519 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 125.013 1.446 . . . . 0.0 108.274 -179.57 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 126.537 2.398 . . . . 0.0 111.591 -178.941 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.017 0 C-N-CA 120.199 -0.6 . . . . 0.0 110.531 177.552 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 -177.744 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.524 0 C-N-CA 125.591 1.557 . . . . 0.0 111.269 177.378 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 C--O 1.243 0.671 0 O-C-N 121.291 -0.88 . . . . 0.0 114.275 -179.434 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 113.283 0.846 . . . . 0.0 113.283 179.205 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 119.754 -1.841 . . . . 0.0 109.652 -179.305 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 116.313 1.968 . . . . 0.0 116.313 -176.917 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 125.328 1.643 . . . . 0.0 110.332 -176.64 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 112.573 -2.103 . . . . 0.0 108.277 176.029 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 N-CA-C 104.462 -2.421 . . . . 0.0 104.462 178.475 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 125.349 1.656 . . . . 0.0 108.285 -177.684 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.288 0 O-C-N 125.884 1.99 . . . . 0.0 110.988 -175.557 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.471 0 O-C-N 126.256 2.713 . . . . 0.0 115.053 -176.55 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.531 0 O-C-N 120.396 -1.44 . . . . 0.0 113.828 177.709 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.365 0 N-CA-C 115.607 1.706 . . . . 0.0 115.607 -176.958 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.264 1.818 0 CA-C-O 115.081 -2.39 . . . . 0.0 112.785 -178.703 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.626 0 CA-C-N 120.915 1.689 . . . . 0.0 114.86 -178.031 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.032 0 C-N-CA 126.99 2.116 . . . . 0.0 111.191 -179.528 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 O-C-N 126.248 2.218 . . . . 0.0 110.451 -179.741 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 125.376 1.47 . . . . 0.0 107.09 177.863 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.728 0 C-N-CA 126.56 1.944 . . . . 0.0 112.603 179.013 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.167 0 CA-C-N 113.176 -1.829 . . . . 0.0 111.4 -177.659 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.151 0 C-N-CA 123.822 0.849 . . . . 0.0 113.18 -179.099 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 104.148 -2.538 . . . . 0.0 104.148 177.419 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 104.842 -2.281 . . . . 0.0 104.842 178.609 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 128.501 3.625 . . . . 0.0 117.008 -175.637 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.584 4.354 0 N-CA-C 105.304 -3.119 . . . . 0.0 105.304 177.048 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.273 2.329 0 O-C-N 128.484 3.108 . . . . 0.0 106.495 179.792 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.244 0.811 0 C-N-CA 118.942 -1.103 . . . . 0.0 112.726 -177.675 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.77 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 177.564 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.843 0 CA-C-O 122.418 1.104 . . . . 0.0 108.111 176.442 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.447 -1.262 0 C-N-CA 121.485 1.457 . . . . 0.0 111.897 -179.769 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 177.01 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 105.359 -2.089 . . . . 0.0 105.359 177.481 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 122.747 1.261 . . . . 0.0 110.055 -176.939 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.157 0 CA-C-N 112.705 -2.043 . . . . 0.0 112.796 -178.436 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.208 0 CA-C-N 118.158 0.979 . . . . 0.0 110.733 -179.537 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.938 0 O-C-N 123.477 1.251 . . . . 0.0 111.659 177.298 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 103.165 -2.902 . . . . 0.0 103.165 178.498 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.344 0 O-C-N 126.882 2.614 . . . . 0.0 112.21 -178.446 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.687 0 N-CA-C 107.578 -1.739 . . . . 0.0 107.578 178.412 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.292 -1.934 0 O-C-N 128.104 3.377 . . . . 0.0 102.958 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.998 0 CA-C-O 115.982 -1.961 . . . . 0.0 108.839 -176.476 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.544 1.867 0 N-CA-C 104.044 -3.622 . . . . 0.0 104.044 178.252 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.513 0 CA-C-O 115.722 -2.085 . . . . 0.0 109.477 -177.895 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.718 0 N-CA-C 103.698 -2.704 . . . . 0.0 103.698 -179.366 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.072 0 O-C-N 127.748 3.155 . . . . 0.0 113.496 -177.169 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 106.356 -1.72 . . . . 0.0 106.356 -178.719 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.934 0 O-C-N 126.244 2.215 . . . . 0.0 107.629 -178.893 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 120.0 -1.882 . . . . 0.0 110.271 -177.066 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.253 1.277 0 N-CA-C 100.625 -3.843 . . . . 0.0 100.625 -179.37 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.316 0 CA-C-O 115.27 -2.054 . . . . 0.0 112.123 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.272 -2.779 0 CA-C-N 120.643 1.565 . . . . 0.0 109.559 177.794 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.423 0 CA-C-N 112.848 -1.978 . . . . 0.0 110.58 178.341 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.307 0 O-C-N 120.909 -1.119 . . . . 0.0 110.424 178.566 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.556 1.178 0 O-C-N 125.816 1.947 . . . . 0.0 110.276 -178.321 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.077 0 O-C-N 127.09 2.744 . . . . 0.0 107.052 178.914 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.609 0 CA-C-O 122.188 0.994 . . . . 0.0 112.957 177.875 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.919 0 O-C-N 117.47 -3.268 . . . . 0.0 114.583 179.668 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.803 0 O-C-N 125.609 1.818 . . . . 0.0 108.153 179.473 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.299 -1.595 1 O-C-N 129.257 4.098 . . . . 0.0 109.749 179.185 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 120.016 -1.678 . . . . 0.0 111.837 179.116 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.302 -1.5 0 C-N-CA 125.101 1.36 . . . . 0.0 112.747 178.715 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.049 0 C-N-CA 127.995 2.712 . . . . 0.0 114.328 -178.891 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.257 0 C-N-CA 128.256 2.622 . . . . 0.0 111.52 -179.67 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 C-N-CA 117.583 -1.647 . . . . 0.0 107.361 179.317 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.107 0 CA-C-O 117.292 -1.337 . . . . 0.0 108.991 -179.328 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.298 0 C-N-CA 122.837 2.358 . . . . 0.0 111.723 178.152 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.019 0 O-C-N 118.685 -2.51 . . . . 0.0 115.68 -178.714 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.311 -1.073 0 C-N-CA 126.612 1.965 . . . . 0.0 110.926 179.697 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.948 0 C-N-CA 123.453 2.768 . . . . 0.0 115.497 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-N 121.299 1.863 . . . . 0.0 113.401 178.057 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 124.951 1.3 . . . . 0.0 108.007 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.86 0 C-N-CA 119.007 -1.077 . . . . 0.0 109.76 179.111 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.567 -0.708 . . . . 0.0 109.339 179.063 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 114.194 -1.366 . . . . 0.0 109.753 179.819 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 119.556 1.071 . . . . 0.0 111.96 -177.974 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-O 117.075 -1.441 . . . . 0.0 111.895 -178.043 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 115.08 1.511 . . . . 0.0 115.08 -178.961 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.256 1.447 0 CA-C-N 114.495 -1.23 . . . . 0.0 109.199 179.735 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 124.859 2.266 . . . . 0.0 109.398 178.327 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.499 -1.008 0 CA-C-N 112.73 -2.032 . . . . 0.0 111.311 178.819 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.725 0 CA-C-N 121.141 1.791 . . . . 0.0 112.781 179.818 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.322 0 CA-C-O 118.424 -0.798 . . . . 0.0 112.268 -176.342 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 O-C-N 124.072 0.858 . . . . 0.0 109.085 -179.293 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-O 115.231 -2.319 . . . . 0.0 110.928 -178.153 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.213 0 O-C-N 127.585 3.053 . . . . 0.0 111.036 178.957 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.294 -1.811 0 C-N-CA 127.363 2.265 . . . . 0.0 113.794 -177.167 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 125.995 2.059 . . . . 0.0 112.22 -179.942 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.379 0 CA-C-N 121.314 1.87 . . . . 0.0 114.82 179.838 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.258 1.547 0 C-N-CA 124.779 1.231 . . . . 0.0 111.391 179.589 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 178.959 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.2 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 178.224 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 O-C-N 124.82 1.325 . . . . 0.0 110.026 -178.638 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-N 113.681 -1.6 . . . . 0.0 110.992 178.364 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.536 0 C-N-CA 127.138 2.175 . . . . 0.0 112.559 -178.546 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 113.692 -1.595 . . . . 0.0 111.968 179.774 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-O 116.728 -1.606 . . . . 0.0 111.704 -178.341 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 126.553 2.408 . . . . 0.0 107.577 178.89 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.048 0 C-N-CA 126.388 1.875 . . . . 0.0 113.125 179.29 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.631 -179.247 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.19 0 O-C-N 124.412 1.07 . . . . 0.0 108.208 178.13 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 116.585 -1.674 . . . . 0.0 112.121 179.075 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.257 1.497 0 N-CA-C 115.934 1.827 . . . . 0.0 115.934 -179.784 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.662 0 O-C-N 124.463 1.102 . . . . 0.0 111.106 -177.913 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.112 0 O-C-N 125.458 1.724 . . . . 0.0 111.35 -178.658 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.062 0 C-N-CA 127.316 2.247 . . . . 0.0 107.406 179.166 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 500' ' ' MXT . . . . . 0.956 ' C11' ' H ' ' A' ' 41' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 600' ' ' MXT . . . . . 0.69 H231 ' O11' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.595 ' N ' ' O12' ' A' ' 500' ' ' MXT . 0.3 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.424 ' N ' ' O12' ' A' ' 500' ' ' MXT . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.299 0 O-C-N 125.664 1.852 . . . . 0.0 106.872 171.459 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.751 1 O-C-N 129.234 4.281 . . . . 0.0 107.983 -174.727 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.913 0 CA-C-N 121.042 1.747 . . . . 0.0 112.641 -179.071 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.187 0 CA-C-N 114.227 -1.352 . . . . 0.0 110.906 179.685 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.191 0 C-N-CA 126.99 2.116 . . . . 0.0 110.195 -177.376 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.256 1.407 0 O-C-N 120.963 -1.086 . . . . 0.0 109.823 -172.583 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.585 0 N-CA-C 105.924 -1.88 . . . . 0.0 105.924 -177.413 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 127.149 2.78 . . . . 0.0 107.847 179.67 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.772 0 CA-C-O 115.442 -2.218 . . . . 0.0 106.443 178.162 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.558 1 O-C-N 130.706 5.004 . . . . 0.0 106.322 177.567 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.13 0 CA-C-O 113.701 -3.047 . . . . 0.0 105.817 -179.778 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.489 1.486 0 CA-C-N 121.128 1.786 . . . . 0.0 110.012 -177.78 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 125.909 2.006 . . . . 0.0 105.762 -176.601 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 127.537 3.023 . . . . 0.0 112.726 -176.371 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.267 1.986 0 O-C-N 127.239 2.837 . . . . 0.0 112.217 177.667 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 122.188 2.267 . . . . 0.0 111.954 -179.691 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.331 -0.212 0 O-C-N 126.607 2.442 . . . . 0.0 109.738 -174.949 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.751 0 C-N-CA 124.702 3.601 . . . . 0.0 111.957 179.72 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.475 0.824 0 CA-C-N 111.705 -2.498 . . . . 0.0 106.761 179.119 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.25 0 O-C-N 127.49 3.363 . . . . 0.0 107.891 178.961 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.329 -0.473 0 C-N-CA 121.83 1.687 . . . . 0.0 108.344 178.829 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.588 0 O-C-N 127.091 2.745 . . . . 0.0 112.143 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -2.006 0 C-N-CA 126.73 2.012 . . . . 0.0 114.89 -174.46 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.707 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 174.997 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 124.905 1.378 . . . . 0.0 113.643 -175.782 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.432 0 CA-C-O 117.389 -1.291 . . . . 0.0 112.787 -179.428 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.297 0 CA-C-N 121.763 2.074 . . . . 0.0 114.905 179.62 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.467 0 C-N-CA 122.208 1.939 . . . . 0.0 113.299 178.104 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.878 0 C-N-CA 129.795 3.238 . . . . 0.0 112.258 178.899 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.06 0 O-C-N 119.422 -2.049 . . . . 0.0 109.549 177.961 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.334 0 CA-C-O 115.59 -2.147 . . . . 0.0 109.209 179.693 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 127.384 2.928 . . . . 0.0 109.408 179.615 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.253 1.246 0 O-C-N 120.285 -1.509 . . . . 0.0 112.932 177.129 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-O 122.019 0.914 . . . . 0.0 113.36 179.034 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.256 0 C-N-CA 126.424 1.89 . . . . 0.0 109.263 179.702 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.766 0 O-C-N 125.138 1.524 . . . . 0.0 110.272 175.873 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.137 0 C-N-CA 127.085 2.154 . . . . 0.0 114.621 178.807 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 1.977 0 CA-C-O 117.106 -1.941 . . . . 0.0 112.354 178.45 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 118.147 0.973 . . . . 0.0 108.493 179.297 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 107.286 -1.376 . . . . 0.0 107.286 175.998 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.921 0 C-N-CA 123.985 0.914 . . . . 0.0 112.86 -179.52 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.483 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 -175.529 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.086 0 C-N-CA 125.058 1.343 . . . . 0.0 108.083 175.077 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 177.227 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.933 0 CA-C-N 114.322 -1.308 . . . . 0.0 110.104 -179.912 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-O 116.005 -1.95 . . . . 0.0 112.317 178.807 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.544 0 N-CA-C 116.557 2.058 . . . . 0.0 116.557 -174.874 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.608 0 CA-C-O 122.793 1.282 . . . . 0.0 112.327 -178.935 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 122.386 2.058 . . . . 0.0 115.15 -179.533 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 177.613 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.43 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 178.341 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.098 0 O-C-N 118.3 -2.75 . . . . 0.0 114.619 -179.056 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.302 0 N-CA-C 115.974 1.842 . . . . 0.0 115.974 179.662 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.045 0 CA-C-N 120.322 1.151 . . . . 0.0 114.9 -179.653 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.22 1.008 . . . . 0.0 112.069 179.837 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 O-C-N 125.12 1.512 . . . . 0.0 111.494 -179.765 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.319 0 N-CA-C 116.942 2.201 . . . . 0.0 116.942 179.094 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 127.638 2.375 . . . . 0.0 115.546 -178.126 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.826 0 N-CA-C 117.143 2.275 . . . . 0.0 117.143 -178.54 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.071 0 CA-C-O 115.701 -2.722 . . . . 0.0 118.862 177.657 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.952 0 CA-C-N 124.185 3.993 . . . . 0.0 111.38 179.697 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-O 115.648 -2.12 . . . . 0.0 106.307 177.481 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.302 -1.481 0 O-C-N 125.496 1.747 . . . . 0.0 107.65 -178.966 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.477 0 O-C-N 125.812 1.945 . . . . 0.0 111.479 -179.647 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-O 122.078 0.942 . . . . 0.0 110.732 179.42 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.029 0 N-CA-C 106.722 -1.584 . . . . 0.0 106.722 -179.883 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 1.993 0 O-C-N 126.018 2.074 . . . . 0.0 116.21 -179.823 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.777 0 CA-C-O 117.891 -1.052 . . . . 0.0 112.568 -178.279 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.485 1.933 0 N-CA-C 107.824 -2.11 . . . . 0.0 107.824 -178.384 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 125.329 2.49 . . . . 0.0 112.685 -177.832 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.246 0.874 0 CA-C-N 110.883 -2.871 . . . . 0.0 110.429 179.227 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -0.997 0 O-C-N 126.395 2.309 . . . . 0.0 105.416 176.636 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.363 0 N-CA-C 117.787 2.514 . . . . 0.0 117.787 -176.528 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 178.775 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 103.848 -2.649 . . . . 0.0 103.848 177.057 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 CA-C-N 112.051 -2.341 . . . . 0.0 108.026 -179.262 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.252 1.261 0 N-CA-C 118.514 2.166 . . . . 0.0 118.514 -178.212 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.243 0.725 0 O-C-N 121.523 -0.986 . . . . 0.0 112.236 -179.686 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.648 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -177.2 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.836 0 CA-C-O 124.218 1.961 . . . . 0.0 110.079 -179.807 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.901 0 CA-C-N 113.463 -1.698 . . . . 0.0 108.353 -178.374 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 C--N 1.318 -0.47 0 CA-C-N 114.057 -1.429 . . . . 0.0 110.162 179.294 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 124.822 0.954 . . . . 0.0 110.048 179.926 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.975 0 CA-C-N 114.327 -1.306 . . . . 0.0 109.335 179.318 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.484 1.249 0 O-C-N 124.514 1.134 . . . . 0.0 110.163 178.896 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.849 0 N-CA-C 119.04 2.376 . . . . 0.0 119.04 -179.657 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.816 0 O-C-N 120.908 -1.349 . . . . 0.0 109.117 179.48 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 107.068 -1.456 . . . . 0.0 107.068 178.629 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.919 0 O-C-N 125.704 1.877 . . . . 0.0 110.279 179.175 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.315 0.578 . . . . 0.0 111.838 -179.201 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 115.72 -2.086 . . . . 0.0 108.802 -177.9 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.903 0 O-C-N 127.227 2.83 . . . . 0.0 110.378 178.729 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 117.672 -1.156 . . . . 0.0 109.553 -179.702 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 O-C-N 128.133 3.396 . . . . 0.0 112.847 -177.739 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.278 0 O-C-N 125.132 1.52 . . . . 0.0 111.7 -178.037 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 123.868 0.867 . . . . 0.0 110.201 178.266 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 118.021 2.6 . . . . 0.0 118.021 175.709 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.044 0 C-N-CA 124.058 0.943 . . . . 0.0 109.073 177.47 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 127.481 2.988 . . . . 0.0 111.362 -177.938 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.387 0 C-N-CA 129.999 3.32 . . . . 0.0 109.017 178.242 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.959 0 O-C-N 126.736 2.522 . . . . 0.0 113.75 -178.131 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 115.266 1.58 . . . . 0.0 115.266 -178.411 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 124.723 1.264 . . . . 0.0 109.939 178.518 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.303 -1.429 0 C-N-CA 124.006 0.922 . . . . 0.0 109.197 178.975 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 123.465 0.706 . . . . 0.0 112.694 -178.461 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-O 116.979 -1.486 . . . . 0.0 111.003 -177.836 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 CA-C-O 116.779 -1.581 . . . . 0.0 110.701 -176.935 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.252 1.185 0 CA-C-N 119.557 1.071 . . . . 0.0 112.845 -178.878 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 124.954 1.302 . . . . 0.0 111.697 -178.47 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 125.038 1.462 . . . . 0.0 108.3 -179.633 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 126.526 2.391 . . . . 0.0 111.643 -178.959 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.249 1.031 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.486 177.579 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.297 -1.713 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -177.739 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 125.706 1.602 . . . . 0.0 111.258 177.412 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 C--O 1.243 0.679 0 O-C-N 121.269 -0.894 . . . . 0.0 114.24 -179.418 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.613 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 179.229 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 119.842 -1.787 . . . . 0.0 109.657 -179.32 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 116.362 1.986 . . . . 0.0 116.362 -176.945 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 125.204 1.565 . . . . 0.0 110.301 -176.644 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--O 1.212 -0.896 0 CA-C-N 112.498 -2.137 . . . . 0.0 108.311 175.986 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 N-CA-C 104.483 -2.414 . . . . 0.0 104.483 178.493 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 125.437 1.711 . . . . 0.0 108.27 -177.664 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.251 0 O-C-N 125.856 1.973 . . . . 0.0 110.973 -175.542 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.474 -2.482 0 O-C-N 126.311 2.743 . . . . 0.0 115.029 -176.505 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.516 0 O-C-N 120.367 -1.458 . . . . 0.0 113.802 177.727 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.362 0 N-CA-C 115.632 1.716 . . . . 0.0 115.632 -176.977 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.264 1.823 0 CA-C-O 115.088 -2.387 . . . . 0.0 112.774 -178.738 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.618 0 CA-C-N 120.888 1.676 . . . . 0.0 114.783 -177.948 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.063 0 C-N-CA 127.018 2.127 . . . . 0.0 111.199 -179.511 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.463 0 O-C-N 126.263 2.227 . . . . 0.0 110.412 -179.72 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 125.363 1.465 . . . . 0.0 107.069 177.892 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.743 0 C-N-CA 126.598 1.959 . . . . 0.0 112.598 179.043 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.168 0 CA-C-N 113.185 -1.825 . . . . 0.0 111.41 -177.69 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.309 -1.172 0 C-N-CA 123.852 0.861 . . . . 0.0 113.193 -179.041 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 104.131 -2.544 . . . . 0.0 104.131 177.466 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 104.874 -2.269 . . . . 0.0 104.874 178.627 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 128.522 3.638 . . . . 0.0 116.979 -175.592 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.584 4.381 0 N-CA-C 105.329 -3.108 . . . . 0.0 105.329 177.046 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.351 0 O-C-N 128.541 3.142 . . . . 0.0 106.536 179.768 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.858 0 C-N-CA 118.975 -1.09 . . . . 0.0 112.744 -177.632 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.771 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.543 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.853 0 CA-C-O 122.465 1.126 . . . . 0.0 108.111 176.433 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.293 0 C-N-CA 121.497 1.465 . . . . 0.0 111.873 -179.685 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 176.983 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 105.358 -2.09 . . . . 0.0 105.358 177.468 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 122.802 1.287 . . . . 0.0 110.123 -176.888 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.202 0 CA-C-N 112.651 -2.068 . . . . 0.0 112.779 179.62 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.223 0 CA-C-N 118.185 0.993 . . . . 0.0 110.74 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.453 -0.909 0 O-C-N 123.49 1.258 . . . . 0.0 111.624 176.798 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 103.174 -2.899 . . . . 0.0 103.174 178.693 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.349 0 O-C-N 126.801 2.563 . . . . 0.0 112.233 -178.915 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.681 0 N-CA-C 107.547 -1.751 . . . . 0.0 107.547 -179.214 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.95 0 O-C-N 128.146 3.404 . . . . 0.0 103.037 179.844 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.999 0 CA-C-O 116.01 -1.948 . . . . 0.0 108.823 -178.725 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.544 1.867 0 N-CA-C 104.078 -3.609 . . . . 0.0 104.078 178.81 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.524 0 CA-C-O 115.67 -2.11 . . . . 0.0 109.507 -179.426 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.716 0 N-CA-C 103.715 -2.698 . . . . 0.0 103.715 -176.611 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.063 0 O-C-N 127.726 3.141 . . . . 0.0 113.51 -177.343 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 106.339 -1.726 . . . . 0.0 106.339 -178.368 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.908 0 O-C-N 126.26 2.225 . . . . 0.0 107.623 -178.703 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 120.712 -1.463 . . . . 0.0 110.271 179.706 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.255 1.357 0 N-CA-C 100.653 -3.832 . . . . 0.0 100.653 177.957 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.291 0 CA-C-O 115.211 -2.079 . . . . 0.0 112.092 179.748 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.272 -2.799 0 CA-C-N 120.724 1.602 . . . . 0.0 109.565 177.78 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.43 0 CA-C-N 112.823 -1.99 . . . . 0.0 110.654 178.291 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.305 0 O-C-N 120.882 -1.136 . . . . 0.0 110.39 178.586 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.16 0 O-C-N 125.789 1.93 . . . . 0.0 110.296 -178.378 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.289 -2.058 0 O-C-N 127.055 2.722 . . . . 0.0 107.061 178.952 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.607 0 CA-C-O 122.219 1.009 . . . . 0.0 112.892 177.898 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.907 0 O-C-N 117.457 -3.277 . . . . 0.0 114.599 179.679 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.804 0 O-C-N 125.556 1.785 . . . . 0.0 108.115 179.512 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.554 1 O-C-N 129.221 4.076 . . . . 0.0 109.784 179.187 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 120.021 -1.675 . . . . 0.0 111.874 179.06 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 125.082 1.353 . . . . 0.0 112.798 178.728 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.035 0 C-N-CA 128.014 2.721 . . . . 0.0 114.258 -179.373 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.273 2.295 0 C-N-CA 128.266 2.627 . . . . 0.0 111.463 -177.55 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 C-N-CA 117.608 -1.637 . . . . 0.0 107.401 179.219 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.287 -2.126 0 CA-C-O 117.262 -1.351 . . . . 0.0 108.988 -179.695 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.336 0 C-N-CA 122.863 2.375 . . . . 0.0 111.79 179.318 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.009 0 O-C-N 118.673 -2.517 . . . . 0.0 115.677 -177.57 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.042 0 C-N-CA 126.666 1.986 . . . . 0.0 110.876 178.86 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.506 -0.915 0 C-N-CA 123.433 2.755 . . . . 0.0 115.453 179.345 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.692 0 CA-C-N 121.32 1.873 . . . . 0.0 113.401 178.075 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 124.959 1.304 . . . . 0.0 108.003 -179.955 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.855 0 C-N-CA 119.079 -1.049 . . . . 0.0 109.765 179.121 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.544 -0.723 . . . . 0.0 109.286 179.103 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 C--O 1.243 0.747 0 CA-C-N 114.223 -1.353 . . . . 0.0 109.777 179.822 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 119.559 1.072 . . . . 0.0 111.963 -177.983 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-O 117.102 -1.428 . . . . 0.0 111.887 -178.069 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 115.055 1.502 . . . . 0.0 115.055 -178.959 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.482 0 CA-C-N 114.572 -1.194 . . . . 0.0 109.18 179.769 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-O 124.926 2.298 . . . . 0.0 109.445 178.288 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.499 -1.009 0 CA-C-N 112.725 -2.034 . . . . 0.0 111.251 178.762 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.76 0 CA-C-N 121.142 1.792 . . . . 0.0 112.779 179.869 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.313 0 CA-C-O 118.423 -0.798 . . . . 0.0 112.238 -176.301 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 O-C-N 124.132 0.895 . . . . 0.0 109.071 -179.25 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-O 115.255 -2.307 . . . . 0.0 110.902 -178.126 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.219 0 O-C-N 127.525 3.015 . . . . 0.0 111.038 178.964 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.782 0 C-N-CA 127.387 2.275 . . . . 0.0 113.768 -177.154 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 125.978 2.049 . . . . 0.0 112.176 -179.921 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.255 1.408 0 CA-C-N 121.34 1.882 . . . . 0.0 114.836 179.887 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.585 0 C-N-CA 124.805 1.242 . . . . 0.0 111.407 179.547 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 178.928 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.307 -1.247 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 178.232 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 O-C-N 124.837 1.335 . . . . 0.0 110.034 -178.682 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.331 0 CA-C-N 113.634 -1.621 . . . . 0.0 111.104 178.318 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.513 0 C-N-CA 127.117 2.167 . . . . 0.0 112.522 -178.565 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 113.692 -1.595 . . . . 0.0 111.987 179.765 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 116.752 -1.594 . . . . 0.0 111.631 -178.273 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 126.464 2.353 . . . . 0.0 107.529 178.9 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 C--N 1.312 -1.048 0 C-N-CA 126.413 1.885 . . . . 0.0 113.142 179.29 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.58 -179.198 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.161 0 O-C-N 124.436 1.085 . . . . 0.0 108.198 178.182 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-O 116.537 -1.697 . . . . 0.0 112.119 179.069 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.527 0 N-CA-C 115.9 1.815 . . . . 0.0 115.9 -179.761 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 O-C-N 124.479 1.112 . . . . 0.0 111.113 -177.898 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.311 -1.105 0 O-C-N 125.433 1.708 . . . . 0.0 111.335 -178.666 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.085 0 C-N-CA 127.31 2.244 . . . . 0.0 107.464 179.066 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 500' ' ' MXT . . . . . 0.788 ' O11' H231 ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 600' ' ' MXT . . . . . 0.88 ' O11' H231 ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.481 ' HB2' H121 ' A' ' 500' ' ' MXT . 24.6 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.295 0 O-C-N 125.664 1.852 . . . . 0.0 106.849 172.812 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.774 1 O-C-N 129.209 4.268 . . . . 0.0 107.976 -177.58 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.894 0 CA-C-N 121.009 1.731 . . . . 0.0 112.63 -178.468 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.502 2.144 0 CA-C-N 114.243 -1.344 . . . . 0.0 110.901 -179.046 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.186 0 C-N-CA 126.991 2.117 . . . . 0.0 110.234 -178.141 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.256 1.441 0 O-C-N 120.882 -1.136 . . . . 0.0 109.84 179.507 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.591 0 N-CA-C 105.945 -1.872 . . . . 0.0 105.945 -177.405 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 127.113 2.758 . . . . 0.0 107.842 179.755 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.78 0 CA-C-O 115.41 -2.233 . . . . 0.0 106.466 177.267 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.552 1 O-C-N 130.686 4.991 . . . . 0.0 106.314 178.346 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.137 0 CA-C-O 113.727 -3.035 . . . . 0.0 105.848 -179.808 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-N 121.133 1.788 . . . . 0.0 110.033 -177.754 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 125.891 1.994 . . . . 0.0 105.765 -176.568 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.364 0 O-C-N 127.532 3.02 . . . . 0.0 112.72 -176.343 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.937 0 O-C-N 127.253 2.846 . . . . 0.0 112.299 177.591 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.928 0 O-C-N 119.068 -2.27 . . . . 0.0 111.9 -179.655 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--O 1.225 -0.202 0 O-C-N 126.633 2.458 . . . . 0.0 109.643 -174.835 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.722 0 C-N-CA 124.689 3.593 . . . . 0.0 111.909 179.72 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.475 0.812 0 CA-C-N 111.76 -2.473 . . . . 0.0 106.775 179.148 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.265 0 O-C-N 127.51 3.374 . . . . 0.0 107.944 178.984 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.511 0 C-N-CA 121.826 1.684 . . . . 0.0 108.324 178.909 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.622 0 O-C-N 127.044 2.715 . . . . 0.0 112.185 179.943 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -2.0 0 C-N-CA 126.748 2.019 . . . . 0.0 114.872 -174.462 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.703 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 175.01 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 124.951 1.407 . . . . 0.0 113.665 -175.834 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.415 0 CA-C-O 117.461 -1.257 . . . . 0.0 112.785 -179.419 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.311 0 CA-C-N 121.743 2.065 . . . . 0.0 114.938 179.629 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.309 -1.512 0 C-N-CA 122.118 1.879 . . . . 0.0 113.312 178.117 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.907 0 C-N-CA 129.778 3.231 . . . . 0.0 112.307 178.844 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.041 0 O-C-N 119.378 -2.076 . . . . 0.0 109.527 178.017 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.559 1.325 0 CA-C-O 115.589 -2.148 . . . . 0.0 109.241 179.676 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 127.368 2.918 . . . . 0.0 109.397 179.572 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.224 0 O-C-N 120.342 -1.473 . . . . 0.0 112.87 177.194 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-O 121.977 0.894 . . . . 0.0 113.349 179.039 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.261 0 C-N-CA 126.465 1.906 . . . . 0.0 109.247 179.713 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 125.121 1.513 . . . . 0.0 110.215 175.873 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.169 0 C-N-CA 127.059 2.144 . . . . 0.0 114.61 178.834 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.009 0 CA-C-O 117.052 -1.971 . . . . 0.0 112.344 178.442 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-N 118.111 0.956 . . . . 0.0 108.482 179.296 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 176.059 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.246 0.918 0 C-N-CA 123.92 0.888 . . . . 0.0 112.892 -179.506 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.484 0 N-CA-C 115.007 1.484 . . . . 0.0 115.007 -175.588 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.31 -1.114 0 C-N-CA 125.062 1.345 . . . . 0.0 108.095 175.102 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 177.246 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.957 0 CA-C-N 114.305 -1.316 . . . . 0.0 110.069 -179.911 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-O 116.031 -1.938 . . . . 0.0 112.352 178.778 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.549 0 C-N-CA 126.88 2.072 . . . . 0.0 116.575 -174.879 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.6 0 CA-C-O 122.771 1.272 . . . . 0.0 112.259 -178.92 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 122.396 2.064 . . . . 0.0 115.086 -179.547 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 107.478 -1.304 . . . . 0.0 107.478 177.63 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.42 0 N-CA-C 115.176 1.546 . . . . 0.0 115.176 178.362 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.106 0 O-C-N 118.339 -2.726 . . . . 0.0 114.573 -179.067 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.253 1.266 0 N-CA-C 115.949 1.833 . . . . 0.0 115.949 179.71 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.064 0 CA-C-N 120.25 1.125 . . . . 0.0 114.912 -179.657 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.257 1.023 . . . . 0.0 112.005 179.865 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 O-C-N 125.075 1.485 . . . . 0.0 111.469 -179.764 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.337 0 N-CA-C 116.921 2.193 . . . . 0.0 116.921 179.087 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 127.656 2.382 . . . . 0.0 115.565 -178.01 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.246 0.883 0 N-CA-C 117.125 2.268 . . . . 0.0 117.125 -178.584 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.482 -2.023 0 CA-C-O 115.701 -2.722 . . . . 0.0 118.875 177.697 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.29 -1.979 0 CA-C-N 124.128 3.964 . . . . 0.0 111.382 179.732 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.175 0 CA-C-O 115.61 -2.138 . . . . 0.0 106.267 177.56 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.302 -1.497 0 O-C-N 125.542 1.776 . . . . 0.0 107.661 -179.011 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.472 0 O-C-N 125.821 1.951 . . . . 0.0 111.494 -179.678 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-O 122.053 0.93 . . . . 0.0 110.694 179.487 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.045 0 N-CA-C 106.762 -1.57 . . . . 0.0 106.762 -179.894 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.266 1.973 0 O-C-N 126.037 2.085 . . . . 0.0 116.241 -179.838 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.767 0 CA-C-O 117.928 -1.034 . . . . 0.0 112.635 -178.24 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.485 1.932 0 N-CA-C 107.828 -2.109 . . . . 0.0 107.828 -178.359 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 125.345 2.498 . . . . 0.0 112.705 -177.866 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.842 0 CA-C-N 110.903 -2.862 . . . . 0.0 110.421 179.215 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.314 -0.96 0 O-C-N 126.393 2.308 . . . . 0.0 105.42 176.619 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.356 0 N-CA-C 117.874 2.546 . . . . 0.0 117.874 -176.582 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 178.771 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 103.788 -2.671 . . . . 0.0 103.788 177.108 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 CA-C-N 112.026 -2.352 . . . . 0.0 108.027 -179.334 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.254 1.363 0 N-CA-C 118.49 2.156 . . . . 0.0 118.49 -178.206 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.674 0 CA-C-N 118.238 1.019 . . . . 0.0 112.294 -179.714 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.668 0 O-C-N 123.708 0.63 . . . . 0.0 112.632 -177.169 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 124.242 1.972 . . . . 0.0 110.083 -179.844 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.907 0 CA-C-N 113.416 -1.72 . . . . 0.0 108.388 -178.379 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 C--N 1.318 -0.429 0 CA-C-N 114.059 -1.428 . . . . 0.0 110.191 179.248 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 124.806 0.945 . . . . 0.0 110.009 179.931 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 1.011 0 CA-C-N 114.333 -1.303 . . . . 0.0 109.386 179.277 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.194 0 O-C-N 124.495 1.122 . . . . 0.0 110.201 178.881 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.31 -0.889 0 N-CA-C 119.059 2.384 . . . . 0.0 119.059 -179.706 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.833 0 O-C-N 120.864 -1.374 . . . . 0.0 109.097 179.502 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 178.611 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.916 0 O-C-N 125.619 1.824 . . . . 0.0 110.245 179.113 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.382 0.61 . . . . 0.0 111.914 -179.162 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 115.708 -2.091 . . . . 0.0 108.784 -177.927 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.293 -1.865 0 O-C-N 127.267 2.854 . . . . 0.0 110.348 178.738 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-O 117.668 -1.158 . . . . 0.0 109.534 -179.663 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 O-C-N 128.154 3.409 . . . . 0.0 112.818 -177.656 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.26 0 O-C-N 125.136 1.523 . . . . 0.0 111.754 -178.121 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 123.876 0.87 . . . . 0.0 110.173 178.309 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.947 0 N-CA-C 117.994 2.59 . . . . 0.0 117.994 175.62 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.058 0 C-N-CA 124.076 0.951 . . . . 0.0 109.047 177.517 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 127.429 2.955 . . . . 0.0 111.352 -177.939 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.385 0 C-N-CA 129.935 3.294 . . . . 0.0 109.023 178.286 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.246 0.918 0 O-C-N 126.803 2.564 . . . . 0.0 113.769 -178.078 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 115.259 1.577 . . . . 0.0 115.259 -178.419 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 124.709 1.255 . . . . 0.0 109.931 178.574 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.402 0 C-N-CA 123.99 0.916 . . . . 0.0 109.154 179.03 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.876 0 C-N-CA 123.497 0.719 . . . . 0.0 112.713 -178.45 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-O 116.985 -1.483 . . . . 0.0 111.028 -177.888 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 CA-C-O 116.79 -1.576 . . . . 0.0 110.708 -176.95 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.137 0 CA-C-N 119.524 1.056 . . . . 0.0 112.854 -178.888 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 124.979 1.312 . . . . 0.0 111.716 -178.496 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 125.02 1.45 . . . . 0.0 108.227 -179.545 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 126.517 2.386 . . . . 0.0 111.631 -178.924 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.009 0 C-N-CA 120.163 -0.615 . . . . 0.0 110.521 177.544 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 114.282 1.216 . . . . 0.0 114.282 -177.752 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.3 -1.562 0 C-N-CA 125.691 1.597 . . . . 0.0 111.211 177.42 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.467 0.716 0 O-C-N 121.349 -0.844 . . . . 0.0 114.254 -179.406 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.51 -0.583 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 179.218 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.67 0 O-C-N 119.869 -1.769 . . . . 0.0 109.691 -179.394 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.888 0 N-CA-C 116.314 1.968 . . . . 0.0 116.314 -176.931 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 125.268 1.605 . . . . 0.0 110.276 -176.63 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 112.513 -2.131 . . . . 0.0 108.289 176.017 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 N-CA-C 104.545 -2.391 . . . . 0.0 104.545 178.423 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 125.396 1.685 . . . . 0.0 108.291 -177.661 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.285 0 O-C-N 125.885 1.99 . . . . 0.0 111.003 -175.569 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.46 0 O-C-N 126.306 2.74 . . . . 0.0 115.009 -176.495 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.257 1.491 0 O-C-N 120.398 -1.439 . . . . 0.0 113.826 177.715 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.256 1.395 0 N-CA-C 115.583 1.697 . . . . 0.0 115.583 -176.96 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--N 1.295 -1.79 0 CA-C-O 115.13 -2.367 . . . . 0.0 112.775 -178.722 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.614 0 CA-C-N 120.908 1.686 . . . . 0.0 114.856 -177.97 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.053 0 C-N-CA 127.037 2.135 . . . . 0.0 111.206 -179.612 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 O-C-N 126.213 2.195 . . . . 0.0 110.466 -179.726 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.077 -1.453 . . . . 0.0 107.077 177.921 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.747 0 C-N-CA 126.538 1.935 . . . . 0.0 112.609 178.985 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.252 1.19 0 CA-C-N 113.193 -1.821 . . . . 0.0 111.412 -177.691 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.118 0 C-N-CA 123.855 0.862 . . . . 0.0 113.217 -179.053 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 104.153 -2.536 . . . . 0.0 104.153 177.465 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 104.833 -2.284 . . . . 0.0 104.833 178.664 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 128.528 3.642 . . . . 0.0 116.996 -175.624 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.584 4.383 0 N-CA-C 105.284 -3.126 . . . . 0.0 105.284 177.086 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.273 2.33 0 O-C-N 128.573 3.161 . . . . 0.0 106.489 179.772 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.244 0.785 0 C-N-CA 118.899 -1.121 . . . . 0.0 112.661 -177.672 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.728 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 177.499 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.855 0 CA-C-O 122.447 1.118 . . . . 0.0 108.082 176.429 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.294 0 C-N-CA 121.495 1.463 . . . . 0.0 111.879 -179.744 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 176.994 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 105.334 -2.098 . . . . 0.0 105.334 177.51 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 122.832 1.301 . . . . 0.0 110.096 -176.979 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.25 1.15 0 CA-C-N 112.631 -2.077 . . . . 0.0 112.746 179.812 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.228 0 CA-C-N 118.179 0.989 . . . . 0.0 110.71 179.879 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.933 0 O-C-N 123.515 1.271 . . . . 0.0 111.649 177.182 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 103.191 -2.892 . . . . 0.0 103.191 178.483 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.333 0 O-C-N 126.938 2.649 . . . . 0.0 112.182 -178.837 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.683 0 N-CA-C 107.602 -1.73 . . . . 0.0 107.602 -179.735 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.29 -1.99 0 O-C-N 128.13 3.394 . . . . 0.0 102.979 -179.878 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.985 0 CA-C-O 115.959 -1.972 . . . . 0.0 108.816 -178.784 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.544 1.883 0 N-CA-C 104.065 -3.614 . . . . 0.0 104.065 178.964 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.53 0 CA-C-O 115.685 -2.103 . . . . 0.0 109.523 -178.052 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.569 1.702 0 N-CA-C 103.693 -2.706 . . . . 0.0 103.693 -179.04 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.077 0 O-C-N 127.693 3.121 . . . . 0.0 113.533 -177.009 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 106.368 -1.715 . . . . 0.0 106.368 -178.699 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.501 2.968 0 O-C-N 126.31 2.256 . . . . 0.0 107.634 -178.927 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.533 -2.157 . . . . 0.0 110.271 -176.646 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--N 1.305 -1.356 0 N-CA-C 100.594 -3.854 . . . . 0.0 100.594 179.746 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.284 0 CA-C-O 115.213 -2.078 . . . . 0.0 112.144 -178.611 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.272 -2.802 0 CA-C-N 120.685 1.584 . . . . 0.0 109.568 177.81 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.429 0 CA-C-N 112.834 -1.984 . . . . 0.0 110.558 178.328 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.277 0 O-C-N 120.903 -1.123 . . . . 0.0 110.423 178.538 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.556 1.187 0 O-C-N 125.745 1.903 . . . . 0.0 110.232 -178.343 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.078 0 O-C-N 127.052 2.72 . . . . 0.0 107.064 178.948 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.484 -1.596 0 CA-C-O 122.168 0.985 . . . . 0.0 112.913 177.923 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.906 0 O-C-N 117.47 -3.269 . . . . 0.0 114.587 179.647 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.793 0 O-C-N 125.614 1.821 . . . . 0.0 108.112 179.521 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.573 1 O-C-N 129.26 4.1 . . . . 0.0 109.779 179.199 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 120.049 -1.657 . . . . 0.0 111.875 179.03 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.529 0 C-N-CA 125.08 1.352 . . . . 0.0 112.717 178.79 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.288 -2.091 0 C-N-CA 127.999 2.714 . . . . 0.0 114.286 -179.137 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.25 0 C-N-CA 128.251 2.621 . . . . 0.0 111.555 -178.976 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 C-N-CA 117.615 -1.634 . . . . 0.0 107.387 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.099 0 CA-C-O 117.305 -1.331 . . . . 0.0 108.967 -179.803 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.298 0 C-N-CA 122.878 2.385 . . . . 0.0 111.755 179.667 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.002 0 O-C-N 118.672 -2.518 . . . . 0.0 115.701 -177.421 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.055 0 C-N-CA 126.634 1.974 . . . . 0.0 110.97 -178.823 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.506 -0.919 0 C-N-CA 123.422 2.748 . . . . 0.0 115.496 177.554 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-N 121.318 1.872 . . . . 0.0 113.468 177.98 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 124.945 1.298 . . . . 0.0 108.048 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.843 0 C-N-CA 119.091 -1.044 . . . . 0.0 109.728 179.138 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.614 -0.679 . . . . 0.0 109.347 179.084 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 114.192 -1.367 . . . . 0.0 109.711 179.822 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-N 119.548 1.067 . . . . 0.0 111.932 -177.916 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-O 117.075 -1.441 . . . . 0.0 111.873 -177.995 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 -178.969 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.256 1.446 0 CA-C-N 114.541 -1.209 . . . . 0.0 109.191 179.717 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-O 124.871 2.272 . . . . 0.0 109.417 178.343 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.039 0 CA-C-N 112.79 -2.005 . . . . 0.0 111.265 178.766 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.725 0 CA-C-N 121.103 1.774 . . . . 0.0 112.755 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.253 1.282 0 CA-C-O 118.452 -0.785 . . . . 0.0 112.274 -176.353 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 O-C-N 124.11 0.881 . . . . 0.0 109.111 -179.32 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-O 115.242 -2.313 . . . . 0.0 110.912 -178.145 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.231 0 O-C-N 127.604 3.065 . . . . 0.0 111.032 178.989 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.765 0 C-N-CA 127.376 2.27 . . . . 0.0 113.777 -177.158 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 125.939 2.024 . . . . 0.0 112.216 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.253 1.335 0 CA-C-N 121.32 1.873 . . . . 0.0 114.828 179.836 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.26 1.606 0 C-N-CA 124.782 1.233 . . . . 0.0 111.416 179.534 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 178.968 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.214 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 178.251 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.944 0 O-C-N 124.831 1.332 . . . . 0.0 110.002 -178.636 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 113.645 -1.616 . . . . 0.0 111.017 178.363 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.302 -1.494 0 C-N-CA 127.143 2.177 . . . . 0.0 112.54 -178.56 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 113.649 -1.614 . . . . 0.0 111.987 179.807 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.681 0 CA-C-O 116.735 -1.602 . . . . 0.0 111.639 -178.268 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 126.532 2.395 . . . . 0.0 107.558 178.893 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 C--N 1.312 -1.029 0 C-N-CA 126.393 1.877 . . . . 0.0 113.124 179.279 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.631 -179.217 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.174 0 O-C-N 124.416 1.072 . . . . 0.0 108.231 178.155 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-O 116.529 -1.701 . . . . 0.0 112.086 179.035 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.257 1.498 0 N-CA-C 115.964 1.838 . . . . 0.0 115.964 -179.767 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 O-C-N 124.541 1.151 . . . . 0.0 111.11 -177.938 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.121 0 O-C-N 125.453 1.72 . . . . 0.0 111.373 -178.668 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.063 0 C-N-CA 127.268 2.227 . . . . 0.0 107.481 179.061 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 500' ' ' MXT . . . . . 0.657 ' O12' H231 ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 600' ' ' MXT . . . . . 0.906 ' O11' H231 ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.422 ' O ' ' O11' ' A' ' 500' ' ' MXT . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.858 ' N ' H122 ' A' ' 500' ' ' MXT . 0.5 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.68 ' H ' H121 ' A' ' 500' ' ' MXT . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.506 2.329 0 O-C-N 125.664 1.852 . . . . 0.0 106.834 169.598 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.734 1 O-C-N 129.206 4.266 . . . . 0.0 107.962 -175.508 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.937 0 CA-C-N 121.001 1.728 . . . . 0.0 112.641 -178.002 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.22 0 CA-C-N 114.205 -1.361 . . . . 0.0 110.895 -177.877 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.195 0 C-N-CA 127.006 2.122 . . . . 0.0 110.262 -177.994 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.256 1.419 0 O-C-N 120.847 -1.158 . . . . 0.0 109.828 -179.249 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.565 0 N-CA-C 105.925 -1.88 . . . . 0.0 105.925 -178.09 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 127.099 2.749 . . . . 0.0 107.812 178.968 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.572 1.792 0 CA-C-O 115.455 -2.212 . . . . 0.0 106.422 179.308 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.511 2.581 1 O-C-N 130.715 5.01 . . . . 0.0 106.315 176.49 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.159 0 CA-C-O 113.767 -3.016 . . . . 0.0 105.84 -179.803 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.47 0 CA-C-N 121.124 1.784 . . . . 0.0 110.081 -177.775 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.8 0 O-C-N 125.854 1.971 . . . . 0.0 105.803 -176.625 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.254 1.33 0 O-C-N 127.555 3.035 . . . . 0.0 112.808 -176.372 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.945 0 O-C-N 127.208 2.818 . . . . 0.0 112.304 177.588 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.316 -0.89 0 O-C-N 119.063 -2.273 . . . . 0.0 111.908 -179.66 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.331 -0.205 0 O-C-N 126.606 2.441 . . . . 0.0 109.692 -174.885 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.756 0 C-N-CA 124.668 3.578 . . . . 0.0 111.909 179.717 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.84 0 CA-C-N 111.778 -2.465 . . . . 0.0 106.71 179.189 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.257 0 O-C-N 127.582 3.411 . . . . 0.0 107.909 178.96 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.532 0 C-N-CA 121.828 1.686 . . . . 0.0 108.288 178.886 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.585 0 O-C-N 127.04 2.712 . . . . 0.0 112.187 179.923 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.993 0 C-N-CA 126.779 2.032 . . . . 0.0 114.881 -174.44 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.687 0 N-CA-C 107.732 -1.211 . . . . 0.0 107.732 174.965 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.298 0 O-C-N 124.896 1.373 . . . . 0.0 113.66 -175.781 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.437 0 CA-C-O 117.403 -1.284 . . . . 0.0 112.768 -179.39 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.295 0 CA-C-N 121.767 2.076 . . . . 0.0 114.931 179.632 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.477 0 C-N-CA 122.145 1.896 . . . . 0.0 113.347 178.036 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.878 0 C-N-CA 129.781 3.232 . . . . 0.0 112.272 178.878 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.045 0 O-C-N 119.365 -2.085 . . . . 0.0 109.493 177.982 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.334 0 CA-C-O 115.614 -2.136 . . . . 0.0 109.262 179.75 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 127.391 2.932 . . . . 0.0 109.333 179.611 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.214 0 O-C-N 120.301 -1.499 . . . . 0.0 112.871 177.193 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-O 121.997 0.903 . . . . 0.0 113.351 179.035 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.272 0 C-N-CA 126.488 1.915 . . . . 0.0 109.227 179.752 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 125.064 1.477 . . . . 0.0 110.239 175.88 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.146 0 C-N-CA 127.073 2.149 . . . . 0.0 114.593 178.873 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.545 1.938 0 CA-C-O 117.094 -1.948 . . . . 0.0 112.367 178.492 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-N 118.153 0.976 . . . . 0.0 108.492 179.281 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 176.001 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.966 0 C-N-CA 123.946 0.898 . . . . 0.0 112.86 -179.54 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.495 0 N-CA-C 114.931 1.456 . . . . 0.0 114.931 -175.471 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.103 0 C-N-CA 125.076 1.351 . . . . 0.0 108.111 175.058 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 177.304 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.21 -0.976 0 CA-C-N 114.28 -1.327 . . . . 0.0 110.071 -179.918 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-O 115.969 -1.967 . . . . 0.0 112.3 178.794 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.546 0 N-CA-C 116.583 2.068 . . . . 0.0 116.583 -174.863 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.615 0 CA-C-O 122.795 1.283 . . . . 0.0 112.294 -178.943 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.448 -1.18 0 C-N-CA 122.396 2.064 . . . . 0.0 115.094 -179.529 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 177.674 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.401 0 N-CA-C 115.181 1.548 . . . . 0.0 115.181 178.342 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.497 -1.075 0 O-C-N 118.342 -2.724 . . . . 0.0 114.58 -179.029 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.336 0 N-CA-C 115.969 1.84 . . . . 0.0 115.969 179.703 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.074 0 CA-C-N 120.287 1.138 . . . . 0.0 114.857 -179.622 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.318 1.047 . . . . 0.0 112.011 179.906 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 O-C-N 125.071 1.482 . . . . 0.0 111.469 -179.72 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.317 0 N-CA-C 116.891 2.182 . . . . 0.0 116.891 179.115 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 127.648 2.379 . . . . 0.0 115.564 -178.004 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.844 0 N-CA-C 117.114 2.264 . . . . 0.0 117.114 -178.529 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.482 -2.03 0 CA-C-O 115.705 -2.719 . . . . 0.0 118.885 177.665 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.954 0 CA-C-N 124.149 3.975 . . . . 0.0 111.353 179.729 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-O 115.681 -2.104 . . . . 0.0 106.255 177.489 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.302 -1.474 0 O-C-N 125.49 1.744 . . . . 0.0 107.677 -178.984 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.256 1.436 0 O-C-N 125.784 1.927 . . . . 0.0 111.505 -179.691 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-O 122.075 0.94 . . . . 0.0 110.709 179.46 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.043 0 N-CA-C 106.713 -1.588 . . . . 0.0 106.713 -179.922 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 2.01 0 O-C-N 126.086 2.116 . . . . 0.0 116.208 -179.844 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.797 0 CA-C-O 117.92 -1.038 . . . . 0.0 112.621 -178.232 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 1.972 0 N-CA-C 107.86 -2.096 . . . . 0.0 107.86 -178.383 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 125.355 2.502 . . . . 0.0 112.666 -177.816 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.246 0.87 0 CA-C-N 110.902 -2.863 . . . . 0.0 110.398 179.183 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -0.989 0 O-C-N 126.348 2.28 . . . . 0.0 105.404 176.607 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.377 0 N-CA-C 117.77 2.507 . . . . 0.0 117.77 -176.532 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 178.81 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 103.801 -2.666 . . . . 0.0 103.801 177.096 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 CA-C-N 112.009 -2.359 . . . . 0.0 108.011 -179.297 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.312 0 N-CA-C 118.574 2.189 . . . . 0.0 118.574 -178.258 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.709 0 O-C-N 121.415 -1.05 . . . . 0.0 112.215 -179.638 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.688 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -177.179 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.834 0 CA-C-O 124.248 1.975 . . . . 0.0 110.056 -179.821 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.247 0.934 0 CA-C-N 113.449 -1.705 . . . . 0.0 108.331 -178.388 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.463 0.499 0 CA-C-N 114.065 -1.425 . . . . 0.0 110.162 179.328 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 124.788 0.934 . . . . 0.0 110.037 179.922 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.988 0 CA-C-N 114.345 -1.298 . . . . 0.0 109.333 179.345 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.19 0 O-C-N 124.529 1.143 . . . . 0.0 110.225 178.848 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 CA--C 1.501 -0.842 0 N-CA-C 119.054 2.381 . . . . 0.0 119.054 -179.672 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.861 0 O-C-N 120.841 -1.388 . . . . 0.0 109.074 179.521 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 178.628 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.894 0 O-C-N 125.678 1.861 . . . . 0.0 110.233 179.126 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.324 0.583 . . . . 0.0 111.924 -179.192 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 115.739 -2.076 . . . . 0.0 108.802 -177.917 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.293 -1.861 0 O-C-N 127.267 2.854 . . . . 0.0 110.36 178.729 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 117.673 -1.156 . . . . 0.0 109.612 -179.719 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 O-C-N 128.156 3.41 . . . . 0.0 112.835 -177.726 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.252 1.234 0 O-C-N 125.106 1.504 . . . . 0.0 111.758 -178.086 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 123.846 0.859 . . . . 0.0 110.193 178.245 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.971 0 N-CA-C 118.02 2.6 . . . . 0.0 118.02 175.651 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.041 0 C-N-CA 124.059 0.944 . . . . 0.0 109.043 177.558 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 127.426 2.954 . . . . 0.0 111.391 -177.995 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.396 0 C-N-CA 129.981 3.312 . . . . 0.0 109.007 178.285 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.246 0.92 0 O-C-N 126.811 2.57 . . . . 0.0 113.778 -178.127 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 115.297 1.592 . . . . 0.0 115.297 -178.429 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 124.737 1.273 . . . . 0.0 109.903 178.581 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.41 0 C-N-CA 123.998 0.919 . . . . 0.0 109.178 178.974 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 123.456 0.703 . . . . 0.0 112.679 -178.421 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-O 117.023 -1.465 . . . . 0.0 110.991 -177.835 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 CA-C-O 116.782 -1.58 . . . . 0.0 110.659 -176.901 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.143 0 CA-C-N 119.579 1.082 . . . . 0.0 112.817 -178.843 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 124.924 1.29 . . . . 0.0 111.696 -178.482 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 125.043 1.464 . . . . 0.0 108.277 -179.568 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.295 -1.768 0 O-C-N 126.551 2.407 . . . . 0.0 111.634 -178.945 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.023 0 C-N-CA 120.211 -0.595 . . . . 0.0 110.51 177.544 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.734 0 N-CA-C 114.298 1.221 . . . . 0.0 114.298 -177.734 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 125.681 1.593 . . . . 0.0 111.243 177.384 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 C--O 1.243 0.687 0 O-C-N 121.3 -0.875 . . . . 0.0 114.218 -179.436 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.604 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 179.251 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 119.839 -1.788 . . . . 0.0 109.658 -179.352 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.442 -0.87 0 N-CA-C 116.341 1.978 . . . . 0.0 116.341 -176.971 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 125.304 1.627 . . . . 0.0 110.324 -176.694 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 112.528 -2.124 . . . . 0.0 108.298 176.023 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 N-CA-C 104.51 -2.404 . . . . 0.0 104.51 178.476 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 125.375 1.672 . . . . 0.0 108.301 -177.685 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.3 0 O-C-N 125.897 1.998 . . . . 0.0 111.011 -175.591 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.453 0 O-C-N 126.285 2.729 . . . . 0.0 115.026 -176.516 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.257 1.489 0 O-C-N 120.435 -1.416 . . . . 0.0 113.851 177.662 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.346 0 N-CA-C 115.635 1.716 . . . . 0.0 115.635 -176.996 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.264 1.819 0 CA-C-O 115.077 -2.392 . . . . 0.0 112.803 -178.703 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.652 0 CA-C-N 120.906 1.685 . . . . 0.0 114.851 -178.044 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.311 -1.077 0 C-N-CA 127.03 2.132 . . . . 0.0 111.191 -179.554 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 O-C-N 126.269 2.231 . . . . 0.0 110.459 -179.724 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 125.388 1.475 . . . . 0.0 107.054 177.913 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.261 1.707 0 C-N-CA 126.591 1.956 . . . . 0.0 112.588 179.035 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.252 1.196 0 CA-C-N 113.207 -1.815 . . . . 0.0 111.453 -177.736 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.152 0 C-N-CA 123.879 0.872 . . . . 0.0 113.147 -179.117 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 104.166 -2.531 . . . . 0.0 104.166 177.416 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 104.783 -2.303 . . . . 0.0 104.783 178.728 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 128.487 3.617 . . . . 0.0 116.94 -175.587 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.328 0 N-CA-C 105.326 -3.11 . . . . 0.0 105.326 177.09 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.273 2.341 0 O-C-N 128.507 3.122 . . . . 0.0 106.507 179.81 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.848 0 C-N-CA 118.975 -1.09 . . . . 0.0 112.706 -177.607 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.752 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 177.568 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.244 0.785 0 CA-C-O 122.437 1.113 . . . . 0.0 108.105 176.426 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.276 0 C-N-CA 121.521 1.481 . . . . 0.0 111.843 -179.692 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 176.964 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 105.382 -2.081 . . . . 0.0 105.382 177.468 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 122.816 1.293 . . . . 0.0 110.11 -176.899 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.172 0 CA-C-N 112.62 -2.082 . . . . 0.0 112.747 179.178 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.232 0 CA-C-N 118.197 0.998 . . . . 0.0 110.755 179.615 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.451 -0.972 0 O-C-N 123.449 1.236 . . . . 0.0 111.661 177.154 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 103.168 -2.901 . . . . 0.0 103.168 178.811 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.306 -1.325 0 O-C-N 126.918 2.636 . . . . 0.0 112.216 -178.805 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.44 -1.644 0 N-CA-C 107.59 -1.735 . . . . 0.0 107.59 -179.725 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.974 0 O-C-N 128.104 3.377 . . . . 0.0 103.008 -179.728 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.991 0 CA-C-O 116.006 -1.95 . . . . 0.0 108.833 179.574 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.825 0 N-CA-C 104.065 -3.614 . . . . 0.0 104.065 -179.54 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.504 0 CA-C-O 115.682 -2.104 . . . . 0.0 109.483 -178.74 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.728 0 N-CA-C 103.67 -2.715 . . . . 0.0 103.67 -177.955 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.092 0 O-C-N 127.753 3.158 . . . . 0.0 113.521 -177.552 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 -178.409 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.952 0 O-C-N 126.255 2.222 . . . . 0.0 107.629 -179.003 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.521 -2.164 . . . . 0.0 110.271 -177.389 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.253 1.281 0 O-C-N 116.307 -3.995 . . . . 0.0 100.612 -177.386 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 CA-C-O 115.21 -2.079 . . . . 0.0 112.066 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.808 0 CA-C-N 120.716 1.598 . . . . 0.0 109.537 177.824 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.412 0 CA-C-N 112.84 -1.982 . . . . 0.0 110.551 178.357 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.322 0 O-C-N 120.944 -1.097 . . . . 0.0 110.44 178.559 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.148 0 O-C-N 125.806 1.941 . . . . 0.0 110.26 -178.368 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.078 0 O-C-N 127.018 2.699 . . . . 0.0 107.034 178.975 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.606 0 CA-C-O 122.18 0.99 . . . . 0.0 112.86 177.919 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.875 0 O-C-N 117.464 -3.273 . . . . 0.0 114.593 179.711 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.808 0 O-C-N 125.646 1.841 . . . . 0.0 108.16 179.466 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.57 1 O-C-N 129.281 4.113 . . . . 0.0 109.755 179.208 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 120.036 -1.665 . . . . 0.0 111.89 179.102 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 125.108 1.363 . . . . 0.0 112.778 178.73 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.29 -2.025 0 C-N-CA 127.97 2.7 . . . . 0.0 114.281 -179.221 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.273 2.295 0 C-N-CA 128.206 2.602 . . . . 0.0 111.517 -179.274 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 C-N-CA 117.605 -1.638 . . . . 0.0 107.392 -179.934 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.289 -2.059 0 CA-C-O 117.28 -1.343 . . . . 0.0 108.991 -179.926 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.862 2.375 . . . . 0.0 111.77 179.084 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 0.994 0 O-C-N 118.644 -2.535 . . . . 0.0 115.742 -178.018 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.026 0 C-N-CA 126.616 1.966 . . . . 0.0 110.964 176.727 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.955 0 C-N-CA 123.414 2.743 . . . . 0.0 115.498 -179.276 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-N 121.312 1.869 . . . . 0.0 113.466 177.992 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 124.964 1.306 . . . . 0.0 108.031 -179.937 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.85 0 C-N-CA 119.051 -1.06 . . . . 0.0 109.746 179.102 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.59 -0.694 . . . . 0.0 109.292 179.11 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 114.269 -1.332 . . . . 0.0 109.794 179.806 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-N 119.532 1.06 . . . . 0.0 111.949 -177.998 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-O 117.084 -1.436 . . . . 0.0 111.856 -178.023 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 115.062 1.505 . . . . 0.0 115.062 -178.923 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.258 1.503 0 CA-C-N 114.566 -1.197 . . . . 0.0 109.165 179.713 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-O 124.899 2.285 . . . . 0.0 109.409 178.331 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.499 -1.015 0 CA-C-N 112.716 -2.038 . . . . 0.0 111.314 178.794 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.295 -1.78 0 CA-C-N 121.127 1.785 . . . . 0.0 112.71 179.838 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.293 0 CA-C-O 118.41 -0.805 . . . . 0.0 112.239 -176.244 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 O-C-N 124.087 0.867 . . . . 0.0 109.119 -179.33 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-O 115.246 -2.311 . . . . 0.0 110.916 -178.129 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.205 0 O-C-N 127.601 3.063 . . . . 0.0 111.021 178.968 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.405 2.282 . . . . 0.0 113.756 -177.142 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 126.011 2.069 . . . . 0.0 112.222 -179.906 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.381 0 CA-C-N 121.339 1.881 . . . . 0.0 114.798 179.857 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.557 0 C-N-CA 124.806 1.243 . . . . 0.0 111.457 179.541 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 178.918 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 178.229 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 O-C-N 124.822 1.326 . . . . 0.0 110.042 -178.659 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 113.617 -1.629 . . . . 0.0 111.029 178.362 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.509 0 C-N-CA 127.158 2.183 . . . . 0.0 112.543 -178.574 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 113.674 -1.603 . . . . 0.0 111.976 179.794 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-O 116.773 -1.584 . . . . 0.0 111.673 -178.291 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 126.511 2.382 . . . . 0.0 107.542 178.887 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.066 0 C-N-CA 126.424 1.89 . . . . 0.0 113.126 179.305 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.656 -179.23 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-O 122.344 1.069 . . . . 0.0 108.222 178.107 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 116.552 -1.689 . . . . 0.0 112.122 179.044 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.518 0 N-CA-C 115.891 1.812 . . . . 0.0 115.891 -179.775 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 O-C-N 124.456 1.098 . . . . 0.0 111.073 -177.868 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.127 0 O-C-N 125.456 1.723 . . . . 0.0 111.367 -178.655 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.061 0 C-N-CA 127.226 2.21 . . . . 0.0 107.454 179.13 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 500' ' ' MXT . . . . . 0.881 H231 ' O11' ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 600' ' ' MXT . . . . . 0.642 H231 ' O12' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.516 ' HB2' H121 ' A' ' 500' ' ' MXT . 8.9 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.506 2.328 0 O-C-N 125.664 1.852 . . . . 0.0 106.848 172.879 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.761 1 O-C-N 129.171 4.248 . . . . 0.0 107.955 -177.685 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.903 0 CA-C-N 120.955 1.707 . . . . 0.0 112.634 -178.464 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.209 0 CA-C-N 114.215 -1.357 . . . . 0.0 110.905 -179.284 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.157 0 C-N-CA 126.97 2.108 . . . . 0.0 110.244 -177.555 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.472 0 O-C-N 120.879 -1.138 . . . . 0.0 109.861 -179.817 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.584 0 N-CA-C 105.955 -1.869 . . . . 0.0 105.955 -177.273 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 127.141 2.775 . . . . 0.0 107.868 179.906 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.753 0 CA-C-O 115.431 -2.223 . . . . 0.0 106.498 177.94 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.556 1 O-C-N 130.665 4.978 . . . . 0.0 106.349 178.23 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.167 0 CA-C-O 113.715 -3.04 . . . . 0.0 105.856 -179.763 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-N 121.21 1.823 . . . . 0.0 110.043 -177.788 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.779 0 O-C-N 125.896 1.997 . . . . 0.0 105.753 -176.567 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.256 1.395 0 O-C-N 127.511 3.007 . . . . 0.0 112.738 -176.398 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.971 0 O-C-N 127.225 2.828 . . . . 0.0 112.235 177.672 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 122.172 2.26 . . . . 0.0 111.892 -179.66 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.331 -0.224 0 O-C-N 126.626 2.454 . . . . 0.0 109.71 -174.868 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.719 0 C-N-CA 124.666 3.577 . . . . 0.0 111.921 179.73 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.837 0 CA-C-N 111.735 -2.484 . . . . 0.0 106.74 179.149 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.316 -1.183 0 O-C-N 127.499 3.368 . . . . 0.0 107.907 179.006 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.532 0 C-N-CA 121.867 1.711 . . . . 0.0 108.327 178.839 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.607 0 O-C-N 127.054 2.721 . . . . 0.0 112.142 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.291 -1.973 0 C-N-CA 126.766 2.026 . . . . 0.0 114.912 -174.459 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.57 1.736 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 175.038 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 124.994 1.433 . . . . 0.0 113.654 -175.777 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.257 1.464 0 CA-C-O 117.395 -1.288 . . . . 0.0 112.783 -179.425 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.296 0 CA-C-N 121.735 2.061 . . . . 0.0 114.948 179.624 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 C-N-CA 122.148 1.899 . . . . 0.0 113.298 178.099 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.264 1.853 0 C-N-CA 129.771 3.228 . . . . 0.0 112.309 178.907 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.313 -1.018 0 O-C-N 119.445 -2.034 . . . . 0.0 109.553 177.956 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.353 0 CA-C-O 115.526 -2.178 . . . . 0.0 109.184 179.752 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 127.419 2.95 . . . . 0.0 109.355 179.638 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.223 0 O-C-N 120.254 -1.528 . . . . 0.0 112.893 177.18 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 122.026 0.917 . . . . 0.0 113.37 179.007 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.306 -1.287 0 C-N-CA 126.54 1.936 . . . . 0.0 109.233 179.718 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 125.117 1.51 . . . . 0.0 110.218 175.927 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.144 0 C-N-CA 127.077 2.151 . . . . 0.0 114.582 178.845 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 1.988 0 CA-C-O 117.102 -1.943 . . . . 0.0 112.38 178.458 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 118.107 0.954 . . . . 0.0 108.478 179.278 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 176.095 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.246 0.917 0 C-N-CA 123.913 0.885 . . . . 0.0 112.888 -179.533 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.463 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 -175.571 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.31 -1.134 0 C-N-CA 125.021 1.329 . . . . 0.0 108.07 175.085 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 177.27 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.21 -0.977 0 CA-C-N 114.281 -1.327 . . . . 0.0 110.04 -179.901 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-O 116.016 -1.945 . . . . 0.0 112.318 178.8 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.278 -2.537 0 N-CA-C 116.536 2.05 . . . . 0.0 116.536 -174.863 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.602 0 CA-C-O 122.703 1.24 . . . . 0.0 112.297 -178.917 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 122.393 2.062 . . . . 0.0 115.091 -179.567 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 177.654 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.431 0 N-CA-C 115.143 1.534 . . . . 0.0 115.143 178.363 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.105 0 O-C-N 118.362 -2.711 . . . . 0.0 114.606 -179.103 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.29 0 N-CA-C 115.984 1.846 . . . . 0.0 115.984 179.652 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.027 0 CA-C-N 120.275 1.134 . . . . 0.0 114.795 -179.571 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.272 1.029 . . . . 0.0 112.047 179.86 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 O-C-N 125.122 1.514 . . . . 0.0 111.485 -179.754 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.315 0 N-CA-C 116.923 2.194 . . . . 0.0 116.923 179.125 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 127.609 2.364 . . . . 0.0 115.556 -178.078 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.864 0 N-CA-C 117.102 2.26 . . . . 0.0 117.102 -178.512 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.482 -2.014 0 CA-C-O 115.661 -2.744 . . . . 0.0 118.854 177.653 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.959 0 CA-C-N 124.159 3.98 . . . . 0.0 111.34 179.723 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-O 115.684 -2.103 . . . . 0.0 106.266 177.528 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.302 -1.465 0 O-C-N 125.45 1.719 . . . . 0.0 107.672 -178.964 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.497 0 O-C-N 125.823 1.952 . . . . 0.0 111.502 -179.655 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-O 122.102 0.954 . . . . 0.0 110.708 179.502 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.049 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 -179.874 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.266 1.963 0 O-C-N 126.037 2.086 . . . . 0.0 116.234 -179.826 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.806 0 CA-C-O 117.946 -1.026 . . . . 0.0 112.607 -178.288 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.485 1.965 0 N-CA-C 107.787 -2.125 . . . . 0.0 107.787 -178.378 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 125.372 2.51 . . . . 0.0 112.648 -177.791 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.861 0 CA-C-N 110.859 -2.882 . . . . 0.0 110.402 179.182 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 126.362 2.289 . . . . 0.0 105.394 176.634 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.406 0 N-CA-C 117.798 2.518 . . . . 0.0 117.798 -176.586 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.806 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 103.86 -2.645 . . . . 0.0 103.86 177.023 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 CA-C-N 112.032 -2.349 . . . . 0.0 107.994 -179.308 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.254 1.37 0 N-CA-C 118.548 2.179 . . . . 0.0 118.548 -178.234 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.695 0 O-C-N 121.436 -1.037 . . . . 0.0 112.223 -179.639 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.653 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -177.145 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.842 0 CA-C-O 124.261 1.982 . . . . 0.0 110.057 -179.821 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.883 0 CA-C-N 113.428 -1.715 . . . . 0.0 108.369 -178.407 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 C--N 1.318 -0.472 0 CA-C-N 114.074 -1.421 . . . . 0.0 110.157 179.313 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 124.841 0.965 . . . . 0.0 110.023 179.93 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.995 0 CA-C-N 114.367 -1.288 . . . . 0.0 109.357 179.31 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.484 1.232 0 O-C-N 124.464 1.102 . . . . 0.0 110.157 178.862 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.853 0 N-CA-C 119.041 2.376 . . . . 0.0 119.041 -179.65 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.866 0 O-C-N 120.89 -1.359 . . . . 0.0 109.129 179.502 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.302 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 178.583 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.902 0 O-C-N 125.668 1.855 . . . . 0.0 110.269 179.087 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.313 0.578 . . . . 0.0 111.887 -179.176 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 115.743 -2.075 . . . . 0.0 108.832 -177.927 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.896 0 O-C-N 127.215 2.822 . . . . 0.0 110.349 178.705 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 117.701 -1.143 . . . . 0.0 109.614 -179.717 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 O-C-N 128.148 3.405 . . . . 0.0 112.834 -177.734 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.262 0 O-C-N 125.081 1.488 . . . . 0.0 111.778 -178.092 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 123.89 0.876 . . . . 0.0 110.149 178.305 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 118.01 2.596 . . . . 0.0 118.01 175.688 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.311 -1.076 0 C-N-CA 124.086 0.954 . . . . 0.0 109.054 177.503 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 127.461 2.976 . . . . 0.0 111.41 -177.938 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.379 0 C-N-CA 129.991 3.316 . . . . 0.0 108.958 178.31 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.941 0 O-C-N 126.805 2.565 . . . . 0.0 113.786 -178.138 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 115.237 1.569 . . . . 0.0 115.237 -178.364 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 124.736 1.272 . . . . 0.0 109.91 178.517 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.407 0 C-N-CA 123.968 0.907 . . . . 0.0 109.178 179.006 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.857 0 C-N-CA 123.484 0.714 . . . . 0.0 112.727 -178.516 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-O 116.95 -1.5 . . . . 0.0 110.984 -177.838 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 CA-C-O 116.745 -1.598 . . . . 0.0 110.691 -176.969 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.132 0 CA-C-N 119.559 1.072 . . . . 0.0 112.849 -178.848 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 124.955 1.302 . . . . 0.0 111.663 -178.466 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 125.014 1.446 . . . . 0.0 108.307 -179.596 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 126.532 2.395 . . . . 0.0 111.593 -178.909 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.249 1.057 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.491 177.57 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 -177.715 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 125.683 1.593 . . . . 0.0 111.262 177.387 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.467 0.713 0 O-C-N 121.356 -0.84 . . . . 0.0 114.219 -179.432 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.508 -0.64 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 179.22 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 119.786 -1.821 . . . . 0.0 109.634 -179.359 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 116.336 1.976 . . . . 0.0 116.336 -176.962 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 125.248 1.592 . . . . 0.0 110.285 -176.639 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 112.507 -2.133 . . . . 0.0 108.347 176.008 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 N-CA-C 104.487 -2.412 . . . . 0.0 104.487 178.468 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 125.377 1.673 . . . . 0.0 108.299 -177.7 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.268 0 O-C-N 125.865 1.978 . . . . 0.0 110.957 -175.541 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.445 0 O-C-N 126.321 2.748 . . . . 0.0 115.015 -176.521 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.528 0 O-C-N 120.46 -1.4 . . . . 0.0 113.783 177.722 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.256 1.41 0 N-CA-C 115.597 1.703 . . . . 0.0 115.597 -176.958 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.264 1.818 0 CA-C-O 115.104 -2.379 . . . . 0.0 112.748 -178.691 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.609 0 CA-C-N 120.896 1.68 . . . . 0.0 114.854 -177.984 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.053 0 C-N-CA 127.021 2.128 . . . . 0.0 111.221 -179.556 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 O-C-N 126.301 2.251 . . . . 0.0 110.46 -179.768 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 125.374 1.47 . . . . 0.0 107.089 177.914 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.263 1.77 0 C-N-CA 126.511 1.924 . . . . 0.0 112.596 179.019 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.155 0 CA-C-N 113.259 -1.791 . . . . 0.0 111.405 -177.673 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.132 0 C-N-CA 123.827 0.851 . . . . 0.0 113.15 -179.117 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 104.161 -2.533 . . . . 0.0 104.161 177.446 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 104.88 -2.267 . . . . 0.0 104.88 178.638 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 128.492 3.62 . . . . 0.0 116.963 -175.576 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.329 0 N-CA-C 105.333 -3.107 . . . . 0.0 105.333 177.082 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.273 2.341 0 O-C-N 128.484 3.108 . . . . 0.0 106.533 179.788 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.818 0 C-N-CA 118.935 -1.106 . . . . 0.0 112.715 -177.612 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.766 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 177.505 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.852 0 CA-C-O 122.487 1.137 . . . . 0.0 108.066 176.399 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.29 0 C-N-CA 121.504 1.469 . . . . 0.0 111.913 -179.794 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 177.042 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 105.365 -2.087 . . . . 0.0 105.365 177.509 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 122.837 1.303 . . . . 0.0 110.157 -176.868 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.25 1.137 0 CA-C-N 112.649 -2.069 . . . . 0.0 112.781 179.385 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.212 0 CA-C-N 118.174 0.987 . . . . 0.0 110.737 179.693 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.958 0 O-C-N 123.508 1.268 . . . . 0.0 111.631 177.196 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 103.181 -2.896 . . . . 0.0 103.181 178.562 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.336 0 O-C-N 126.886 2.616 . . . . 0.0 112.206 -178.772 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.68 0 N-CA-C 107.543 -1.753 . . . . 0.0 107.543 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.944 0 O-C-N 128.097 3.373 . . . . 0.0 103.009 -179.544 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.266 1.96 0 CA-C-O 116.003 -1.951 . . . . 0.0 108.825 -178.405 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.836 0 N-CA-C 104.099 -3.601 . . . . 0.0 104.099 179.788 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.501 0 CA-C-O 115.654 -2.117 . . . . 0.0 109.482 -177.988 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.718 0 N-CA-C 103.72 -2.696 . . . . 0.0 103.72 -178.994 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.066 0 O-C-N 127.74 3.15 . . . . 0.0 113.498 -177.56 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 106.314 -1.736 . . . . 0.0 106.314 -178.291 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.949 0 O-C-N 126.285 2.241 . . . . 0.0 107.597 -179.129 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.429 -2.218 . . . . 0.0 110.271 -177.414 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.312 0 N-CA-C 100.625 -3.842 . . . . 0.0 100.625 -177.49 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.28 0 CA-C-O 115.254 -2.061 . . . . 0.0 112.128 179.546 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.805 0 CA-C-N 120.7 1.591 . . . . 0.0 109.54 177.799 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.416 0 CA-C-N 112.873 -1.967 . . . . 0.0 110.563 178.309 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.432 -1.328 0 O-C-N 120.917 -1.114 . . . . 0.0 110.455 178.533 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.146 0 O-C-N 125.799 1.937 . . . . 0.0 110.259 -178.385 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.083 0 O-C-N 126.997 2.685 . . . . 0.0 107.02 178.982 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.601 0 CA-C-O 122.16 0.981 . . . . 0.0 112.905 177.905 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.891 0 O-C-N 117.487 -3.258 . . . . 0.0 114.59 179.675 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.791 0 O-C-N 125.642 1.839 . . . . 0.0 108.14 179.478 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.299 -1.607 1 O-C-N 129.232 4.083 . . . . 0.0 109.749 179.203 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 120.057 -1.652 . . . . 0.0 111.849 179.119 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.543 0 C-N-CA 125.138 1.375 . . . . 0.0 112.733 178.754 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.056 0 C-N-CA 128.005 2.717 . . . . 0.0 114.271 -179.45 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.273 2.324 0 C-N-CA 128.284 2.634 . . . . 0.0 111.503 -178.764 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 C-N-CA 117.626 -1.63 . . . . 0.0 107.397 179.189 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.108 0 CA-C-O 117.227 -1.368 . . . . 0.0 108.978 -179.238 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.309 0 C-N-CA 122.874 2.383 . . . . 0.0 111.82 178.205 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.249 1.033 0 O-C-N 118.656 -2.527 . . . . 0.0 115.7 -176.746 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.311 -1.072 0 C-N-CA 126.635 1.974 . . . . 0.0 110.981 179.823 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.939 0 C-N-CA 123.464 2.776 . . . . 0.0 115.504 176.334 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-N 121.265 1.848 . . . . 0.0 113.457 177.993 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 124.988 1.315 . . . . 0.0 107.995 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.85 0 C-N-CA 119.073 -1.051 . . . . 0.0 109.762 179.147 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.556 -0.715 . . . . 0.0 109.29 179.107 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 114.222 -1.354 . . . . 0.0 109.747 179.836 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 119.59 1.086 . . . . 0.0 111.973 -177.973 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-O 117.087 -1.435 . . . . 0.0 111.864 -178.071 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 114.994 1.479 . . . . 0.0 114.994 -178.888 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.256 1.447 0 CA-C-N 114.566 -1.197 . . . . 0.0 109.189 179.773 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-O 124.906 2.289 . . . . 0.0 109.397 178.302 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.025 0 CA-C-N 112.738 -2.028 . . . . 0.0 111.291 178.799 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.745 0 CA-C-N 121.147 1.794 . . . . 0.0 112.706 179.863 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.318 0 CA-C-O 118.419 -0.801 . . . . 0.0 112.253 -176.28 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 O-C-N 124.091 0.87 . . . . 0.0 109.101 -179.308 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-O 115.227 -2.321 . . . . 0.0 110.869 -178.087 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.309 -1.186 0 O-C-N 127.578 3.049 . . . . 0.0 111.044 178.999 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.799 0 C-N-CA 127.382 2.273 . . . . 0.0 113.779 -177.199 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 125.97 2.044 . . . . 0.0 112.215 -179.938 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.358 0 CA-C-N 121.292 1.86 . . . . 0.0 114.819 179.832 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.589 0 C-N-CA 124.784 1.234 . . . . 0.0 111.418 179.587 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 178.879 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.226 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 178.248 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 O-C-N 124.822 1.327 . . . . 0.0 110.033 -178.708 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 113.665 -1.607 . . . . 0.0 110.986 178.391 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 127.157 2.183 . . . . 0.0 112.515 -178.504 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 113.702 -1.59 . . . . 0.0 112.011 179.745 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-O 116.756 -1.592 . . . . 0.0 111.682 -178.29 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 126.547 2.404 . . . . 0.0 107.592 178.852 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.06 0 C-N-CA 126.402 1.881 . . . . 0.0 113.171 179.236 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.618 -179.203 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-O 122.341 1.067 . . . . 0.0 108.25 178.08 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 116.611 -1.662 . . . . 0.0 112.165 179.036 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.519 0 N-CA-C 115.846 1.795 . . . . 0.0 115.846 -179.732 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 O-C-N 124.514 1.134 . . . . 0.0 111.131 -177.904 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.13 0 O-C-N 125.484 1.74 . . . . 0.0 111.372 -178.679 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.089 0 C-N-CA 127.235 2.214 . . . . 0.0 107.475 179.103 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 500' ' ' MXT . . . . . 0.892 H231 ' O11' ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 600' ' ' MXT . . . . . 0.919 H231 ' O11' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.783 ' C ' H111 ' A' ' 500' ' ' MXT . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 1.241 ' H ' ' C11' ' A' ' 500' ' ' MXT . 26.5 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.286 0 O-C-N 125.664 1.852 . . . . 0.0 106.88 172.393 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.716 1 O-C-N 129.132 4.227 . . . . 0.0 107.985 -177.456 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.934 0 CA-C-N 121.034 1.743 . . . . 0.0 112.634 -178.39 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.188 0 CA-C-N 114.217 -1.356 . . . . 0.0 110.939 -178.594 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.183 0 C-N-CA 126.961 2.105 . . . . 0.0 110.213 -178.318 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.256 1.422 0 O-C-N 120.855 -1.153 . . . . 0.0 109.834 179.684 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.577 0 N-CA-C 105.927 -1.879 . . . . 0.0 105.927 -177.519 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 127.103 2.752 . . . . 0.0 107.816 -179.787 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.766 0 CA-C-O 115.458 -2.21 . . . . 0.0 106.451 176.961 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.556 1 O-C-N 130.669 4.981 . . . . 0.0 106.254 178.615 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.125 0 CA-C-O 113.737 -3.03 . . . . 0.0 105.877 -179.812 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-N 121.153 1.797 . . . . 0.0 110.053 -177.777 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 125.857 1.973 . . . . 0.0 105.773 -176.575 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.254 1.338 0 O-C-N 127.472 2.982 . . . . 0.0 112.736 -176.341 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.97 0 O-C-N 127.163 2.789 . . . . 0.0 112.252 177.645 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 122.135 2.243 . . . . 0.0 111.916 -179.653 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.331 -0.209 0 O-C-N 126.623 2.452 . . . . 0.0 109.7 -174.852 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.717 0 C-N-CA 124.7 3.6 . . . . 0.0 111.954 179.738 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.855 0 CA-C-N 111.704 -2.498 . . . . 0.0 106.735 179.122 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.315 -1.233 0 O-C-N 127.516 3.377 . . . . 0.0 107.906 178.979 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.501 0 CA-C-O 116.125 -1.698 . . . . 0.0 108.331 178.88 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.428 -1.566 0 O-C-N 127.114 2.759 . . . . 0.0 112.175 179.919 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.291 -1.975 0 C-N-CA 126.725 2.01 . . . . 0.0 114.907 -174.473 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.568 1.665 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 175.025 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 124.854 1.346 . . . . 0.0 113.65 -175.807 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.441 0 CA-C-O 117.388 -1.292 . . . . 0.0 112.743 -179.375 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.253 1.265 0 CA-C-N 121.781 2.082 . . . . 0.0 114.935 179.615 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.482 0 C-N-CA 122.157 1.905 . . . . 0.0 113.289 178.124 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.902 0 C-N-CA 129.777 3.231 . . . . 0.0 112.26 178.905 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.311 -1.072 0 O-C-N 119.408 -2.058 . . . . 0.0 109.495 177.983 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.559 1.308 0 CA-C-O 115.598 -2.144 . . . . 0.0 109.268 179.701 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 127.346 2.904 . . . . 0.0 109.366 179.587 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.211 0 O-C-N 120.278 -1.514 . . . . 0.0 112.902 177.163 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 122.057 0.932 . . . . 0.0 113.383 179.027 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.25 0 C-N-CA 126.469 1.908 . . . . 0.0 109.242 179.725 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 125.091 1.495 . . . . 0.0 110.22 175.907 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.15 0 C-N-CA 127.07 2.148 . . . . 0.0 114.606 178.804 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.017 0 CA-C-O 117.063 -1.965 . . . . 0.0 112.366 178.478 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 118.123 0.962 . . . . 0.0 108.493 179.306 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 107.27 -1.382 . . . . 0.0 107.27 176.007 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.246 0.917 0 C-N-CA 123.906 0.883 . . . . 0.0 112.871 -179.472 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.45 0 N-CA-C 114.986 1.476 . . . . 0.0 114.986 -175.588 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.31 -1.129 0 C-N-CA 125.013 1.325 . . . . 0.0 108.115 175.102 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.315 -0.897 0 O-C-N 124.52 1.138 . . . . 0.0 107.945 177.286 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.956 0 CA-C-N 114.32 -1.309 . . . . 0.0 110.066 -179.903 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-O 116.042 -1.932 . . . . 0.0 112.351 178.771 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.569 0 N-CA-C 116.585 2.068 . . . . 0.0 116.585 -174.876 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.59 0 CA-C-O 122.749 1.261 . . . . 0.0 112.296 -178.959 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 122.385 2.057 . . . . 0.0 115.102 -179.542 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 177.588 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.418 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 178.337 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.106 0 O-C-N 118.324 -2.735 . . . . 0.0 114.606 -179.078 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.329 0 N-CA-C 115.97 1.841 . . . . 0.0 115.97 179.705 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.502 -1.08 0 CA-C-N 120.316 1.148 . . . . 0.0 114.864 -179.639 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.284 1.034 . . . . 0.0 112.013 179.864 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 O-C-N 125.097 1.498 . . . . 0.0 111.525 -179.764 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.311 0 N-CA-C 116.914 2.191 . . . . 0.0 116.914 179.083 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 127.651 2.38 . . . . 0.0 115.577 -178.055 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.246 0.886 0 N-CA-C 117.123 2.268 . . . . 0.0 117.123 -178.565 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.08 0 CA-C-O 115.683 -2.732 . . . . 0.0 118.848 177.621 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.965 0 CA-C-N 124.184 3.992 . . . . 0.0 111.36 179.709 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 115.595 -2.145 . . . . 0.0 106.295 177.528 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.505 0 O-C-N 125.519 1.762 . . . . 0.0 107.672 -179.032 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.461 0 O-C-N 125.773 1.92 . . . . 0.0 111.504 -179.66 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-O 122.115 0.959 . . . . 0.0 110.694 179.494 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.058 0 N-CA-C 106.763 -1.569 . . . . 0.0 106.763 -179.89 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 1.992 0 O-C-N 126.003 2.064 . . . . 0.0 116.208 -179.831 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.783 0 CA-C-O 117.871 -1.062 . . . . 0.0 112.582 -178.268 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.485 1.929 0 N-CA-C 107.822 -2.111 . . . . 0.0 107.822 -178.373 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 125.359 2.504 . . . . 0.0 112.697 -177.851 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.825 0 CA-C-N 110.916 -2.856 . . . . 0.0 110.43 179.196 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.314 -0.962 0 O-C-N 126.371 2.294 . . . . 0.0 105.386 176.644 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.425 0 N-CA-C 117.785 2.513 . . . . 0.0 117.785 -176.57 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 178.764 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 103.821 -2.659 . . . . 0.0 103.821 177.027 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 CA-C-N 111.992 -2.367 . . . . 0.0 108.021 -179.332 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.254 1.346 0 N-CA-C 118.541 2.177 . . . . 0.0 118.541 -178.248 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.707 0 O-C-N 121.433 -1.039 . . . . 0.0 112.258 -179.708 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.667 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -177.171 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.495 1.811 0 CA-C-O 124.222 1.963 . . . . 0.0 110.059 -179.771 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.875 0 CA-C-N 113.438 -1.71 . . . . 0.0 108.388 -178.43 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 C--N 1.318 -0.468 0 CA-C-N 114.041 -1.436 . . . . 0.0 110.139 179.317 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 124.86 0.976 . . . . 0.0 110.017 179.904 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 1.005 0 CA-C-N 114.375 -1.284 . . . . 0.0 109.347 179.308 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.179 0 O-C-N 124.464 1.102 . . . . 0.0 110.195 178.89 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.812 0 N-CA-C 119.065 2.386 . . . . 0.0 119.065 -179.684 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.829 0 O-C-N 120.945 -1.326 . . . . 0.0 109.102 179.497 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 178.63 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.266 1.925 0 O-C-N 125.687 1.867 . . . . 0.0 110.265 179.119 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.288 0.566 . . . . 0.0 111.858 -179.162 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 115.706 -2.092 . . . . 0.0 108.865 -177.985 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.905 0 O-C-N 127.232 2.833 . . . . 0.0 110.375 178.67 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 117.65 -1.167 . . . . 0.0 109.556 -179.673 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 O-C-N 128.116 3.385 . . . . 0.0 112.864 -177.77 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.256 0 O-C-N 125.114 1.509 . . . . 0.0 111.717 -178.059 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 123.892 0.877 . . . . 0.0 110.213 178.261 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.96 0 N-CA-C 118.065 2.617 . . . . 0.0 118.065 175.7 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.039 0 C-N-CA 124.074 0.949 . . . . 0.0 109.026 177.562 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 127.473 2.983 . . . . 0.0 111.349 -177.966 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.382 0 C-N-CA 129.944 3.298 . . . . 0.0 108.992 178.308 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.246 0.898 0 O-C-N 126.779 2.55 . . . . 0.0 113.758 -178.104 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 -178.407 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 124.719 1.262 . . . . 0.0 109.929 178.529 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.303 -1.446 0 C-N-CA 124.026 0.93 . . . . 0.0 109.199 178.982 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.868 0 C-N-CA 123.47 0.708 . . . . 0.0 112.716 -178.481 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-O 117.045 -1.455 . . . . 0.0 111.009 -177.823 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 CA-C-O 116.733 -1.603 . . . . 0.0 110.712 -176.939 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.175 0 CA-C-N 119.581 1.082 . . . . 0.0 112.853 -178.89 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 124.944 1.298 . . . . 0.0 111.711 -178.51 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 125.063 1.477 . . . . 0.0 108.29 -179.586 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.741 0 O-C-N 126.543 2.402 . . . . 0.0 111.62 -178.933 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 0.992 0 C-N-CA 120.213 -0.595 . . . . 0.0 110.496 177.57 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 -177.757 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 125.705 1.602 . . . . 0.0 111.243 177.378 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 C--O 1.243 0.679 0 O-C-N 121.32 -0.862 . . . . 0.0 114.253 -179.393 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.617 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 179.218 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 119.841 -1.787 . . . . 0.0 109.689 -179.413 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.878 0 N-CA-C 116.308 1.966 . . . . 0.0 116.308 -176.905 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 125.246 1.591 . . . . 0.0 110.274 -176.589 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 112.501 -2.136 . . . . 0.0 108.273 176.003 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 N-CA-C 104.499 -2.408 . . . . 0.0 104.499 178.486 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 125.362 1.664 . . . . 0.0 108.262 -177.694 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.263 0 O-C-N 125.869 1.981 . . . . 0.0 110.936 -175.498 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.453 0 O-C-N 126.265 2.718 . . . . 0.0 115.03 -176.46 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.505 0 O-C-N 120.403 -1.436 . . . . 0.0 113.769 177.682 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.358 0 N-CA-C 115.602 1.704 . . . . 0.0 115.602 -176.984 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.263 1.813 0 CA-C-O 115.103 -2.38 . . . . 0.0 112.787 -178.753 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.623 0 CA-C-N 120.881 1.673 . . . . 0.0 114.852 -177.988 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 127.036 2.134 . . . . 0.0 111.233 -179.59 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 O-C-N 126.206 2.191 . . . . 0.0 110.523 -179.795 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 125.321 1.448 . . . . 0.0 107.106 177.824 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.261 1.708 0 C-N-CA 126.575 1.95 . . . . 0.0 112.597 179.002 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.252 1.197 0 CA-C-N 113.207 -1.815 . . . . 0.0 111.421 -177.705 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.309 -1.177 0 C-N-CA 123.845 0.858 . . . . 0.0 113.151 -179.1 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 104.118 -2.549 . . . . 0.0 104.118 177.439 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 104.845 -2.28 . . . . 0.0 104.845 178.649 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 128.495 3.622 . . . . 0.0 116.952 -175.57 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.32 0 N-CA-C 105.323 -3.111 . . . . 0.0 105.323 177.071 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.273 2.325 0 O-C-N 128.459 3.093 . . . . 0.0 106.548 179.783 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.848 0 C-N-CA 118.92 -1.112 . . . . 0.0 112.712 -177.58 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.756 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 177.547 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.244 0.795 0 CA-C-O 122.486 1.136 . . . . 0.0 108.049 176.442 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.283 0 C-N-CA 121.491 1.461 . . . . 0.0 111.873 -179.735 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 176.999 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 105.344 -2.095 . . . . 0.0 105.344 177.494 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 122.777 1.275 . . . . 0.0 110.136 -176.9 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.182 0 CA-C-N 112.665 -2.061 . . . . 0.0 112.799 -179.628 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.202 0 CA-C-N 118.167 0.983 . . . . 0.0 110.759 179.877 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.956 0 O-C-N 123.514 1.27 . . . . 0.0 111.669 177.402 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 103.144 -2.91 . . . . 0.0 103.144 178.451 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.306 -1.303 0 O-C-N 126.848 2.593 . . . . 0.0 112.218 -178.69 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.44 -1.645 0 N-CA-C 107.566 -1.744 . . . . 0.0 107.566 179.871 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.29 -1.979 0 O-C-N 128.126 3.391 . . . . 0.0 102.991 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.989 0 CA-C-O 115.982 -1.961 . . . . 0.0 108.809 -178.948 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 C--N 1.293 -1.813 0 N-CA-C 104.094 -3.602 . . . . 0.0 104.094 179.486 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.257 1.495 0 CA-C-O 115.693 -2.099 . . . . 0.0 109.48 -178.915 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.714 0 N-CA-C 103.701 -2.703 . . . . 0.0 103.701 -179.225 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.498 -1.054 0 O-C-N 127.75 3.156 . . . . 0.0 113.562 -176.972 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 106.338 -1.727 . . . . 0.0 106.338 -178.565 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.945 0 O-C-N 126.281 2.238 . . . . 0.0 107.662 -178.927 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.386 -2.244 . . . . 0.0 110.271 -176.99 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.329 0 N-CA-C 100.637 -3.838 . . . . 0.0 100.637 179.533 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.445 -1.329 0 CA-C-O 115.26 -2.058 . . . . 0.0 112.131 -178.913 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.804 0 CA-C-N 120.693 1.588 . . . . 0.0 109.617 177.752 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.423 0 CA-C-N 112.866 -1.97 . . . . 0.0 110.621 178.269 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.298 0 O-C-N 120.982 -1.074 . . . . 0.0 110.417 178.565 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.173 0 O-C-N 125.846 1.966 . . . . 0.0 110.262 -178.36 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.289 -2.055 0 O-C-N 127.068 2.73 . . . . 0.0 107.082 178.943 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.634 0 CA-C-O 122.229 1.014 . . . . 0.0 112.957 177.9 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.89 0 O-C-N 117.419 -3.301 . . . . 0.0 114.535 179.666 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.573 1.832 0 O-C-N 125.578 1.799 . . . . 0.0 108.129 179.566 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.567 1 O-C-N 129.27 4.106 . . . . 0.0 109.78 179.173 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 120.034 -1.666 . . . . 0.0 111.853 179.056 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 125.091 1.356 . . . . 0.0 112.773 178.753 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.048 0 C-N-CA 128.042 2.734 . . . . 0.0 114.303 -178.551 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.249 0 C-N-CA 128.258 2.623 . . . . 0.0 111.491 -178.63 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 C-N-CA 117.565 -1.654 . . . . 0.0 107.392 179.923 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.1 0 CA-C-O 117.291 -1.338 . . . . 0.0 108.975 -179.91 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.294 0 C-N-CA 122.864 2.376 . . . . 0.0 111.778 179.077 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.022 0 O-C-N 118.627 -2.546 . . . . 0.0 115.702 -178.122 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.311 -1.074 0 C-N-CA 126.665 1.986 . . . . 0.0 110.95 179.64 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.506 -0.894 0 C-N-CA 123.422 2.748 . . . . 0.0 115.489 -179.148 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.703 0 CA-C-N 121.29 1.859 . . . . 0.0 113.451 177.962 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 124.949 1.3 . . . . 0.0 107.986 -179.943 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.86 0 C-N-CA 119.079 -1.048 . . . . 0.0 109.756 179.112 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.555 -0.715 . . . . 0.0 109.308 179.107 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 114.237 -1.347 . . . . 0.0 109.692 179.85 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 119.64 1.109 . . . . 0.0 111.909 -177.919 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.025 0 CA-C-O 117.09 -1.433 . . . . 0.0 111.864 -178.004 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 115.076 1.51 . . . . 0.0 115.076 -178.959 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.448 0 CA-C-N 114.554 -1.203 . . . . 0.0 109.208 179.727 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-O 124.847 2.261 . . . . 0.0 109.43 178.263 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.036 0 CA-C-N 112.747 -2.024 . . . . 0.0 111.256 178.806 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 121.136 1.789 . . . . 0.0 112.762 179.878 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.293 0 CA-C-O 118.473 -0.775 . . . . 0.0 112.255 -176.263 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 O-C-N 124.079 0.862 . . . . 0.0 109.108 -179.339 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-O 115.174 -2.346 . . . . 0.0 110.855 -178.07 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.211 0 O-C-N 127.591 3.057 . . . . 0.0 111.015 179.005 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.799 0 C-N-CA 127.383 2.273 . . . . 0.0 113.768 -177.167 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 126.001 2.063 . . . . 0.0 112.193 -179.919 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.253 1.344 0 CA-C-N 121.28 1.855 . . . . 0.0 114.824 179.841 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.58 0 C-N-CA 124.784 1.233 . . . . 0.0 111.411 179.596 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 178.942 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 178.242 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.94 0 O-C-N 124.792 1.308 . . . . 0.0 110.003 -178.628 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-N 113.619 -1.628 . . . . 0.0 111.045 178.368 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 127.151 2.181 . . . . 0.0 112.539 -178.602 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 113.657 -1.61 . . . . 0.0 112.012 179.797 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-O 116.762 -1.59 . . . . 0.0 111.673 -178.303 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 126.497 2.373 . . . . 0.0 107.579 178.873 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.058 0 C-N-CA 126.392 1.877 . . . . 0.0 113.148 179.257 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.643 -179.217 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.172 0 O-C-N 124.444 1.09 . . . . 0.0 108.211 178.128 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 116.542 -1.694 . . . . 0.0 112.098 179.059 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.516 0 N-CA-C 115.908 1.818 . . . . 0.0 115.908 -179.76 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 O-C-N 124.456 1.098 . . . . 0.0 111.115 -177.908 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.129 0 O-C-N 125.421 1.701 . . . . 0.0 111.398 -178.7 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.051 0 C-N-CA 127.236 2.214 . . . . 0.0 107.485 179.089 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 500' ' ' MXT . . . . . 1.241 ' C11' ' H ' ' A' ' 41' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 600' ' ' MXT . . . . . 0.757 H231 ' O12' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.451 ' O ' H232 ' A' ' 500' ' ' MXT . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 1.057 ' HA ' H122 ' A' ' 500' ' ' MXT . 13.9 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.71 ' H ' H121 ' A' ' 500' ' ' MXT . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.287 0 O-C-N 125.664 1.852 . . . . 0.0 106.866 169.552 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.779 1 O-C-N 129.2 4.263 . . . . 0.0 107.979 -175.836 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.936 0 CA-C-N 121.006 1.73 . . . . 0.0 112.61 -178.402 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.192 0 CA-C-N 114.2 -1.364 . . . . 0.0 110.907 -177.47 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.171 0 C-N-CA 126.982 2.113 . . . . 0.0 110.241 -177.188 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.456 0 O-C-N 120.859 -1.151 . . . . 0.0 109.824 177.018 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.569 0 N-CA-C 105.961 -1.866 . . . . 0.0 105.961 -178.2 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 127.128 2.767 . . . . 0.0 107.834 178.254 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.774 0 CA-C-O 115.444 -2.217 . . . . 0.0 106.47 178.396 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 C--N 1.278 -2.523 1 O-C-N 130.667 4.98 . . . . 0.0 106.356 177.465 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.134 0 CA-C-O 113.765 -3.017 . . . . 0.0 105.853 -179.78 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.451 0 CA-C-N 121.126 1.785 . . . . 0.0 110.05 -177.778 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.769 0 O-C-N 125.853 1.971 . . . . 0.0 105.744 -176.562 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.361 0 O-C-N 127.497 2.998 . . . . 0.0 112.716 -176.364 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.94 0 O-C-N 127.206 2.816 . . . . 0.0 112.241 177.678 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.923 0 O-C-N 119.057 -2.277 . . . . 0.0 111.889 -179.656 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--O 1.225 -0.218 0 O-C-N 126.626 2.453 . . . . 0.0 109.701 -174.869 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.741 0 C-N-CA 124.656 3.571 . . . . 0.0 111.979 179.669 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.828 0 CA-C-N 111.747 -2.478 . . . . 0.0 106.757 179.147 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.251 0 O-C-N 127.539 3.389 . . . . 0.0 107.927 178.974 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.329 -0.493 0 C-N-CA 121.854 1.702 . . . . 0.0 108.327 178.841 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.598 0 O-C-N 127.02 2.7 . . . . 0.0 112.179 179.92 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.993 0 C-N-CA 126.764 2.026 . . . . 0.0 114.889 -174.483 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.71 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 174.997 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 124.865 1.353 . . . . 0.0 113.661 -175.795 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.257 1.449 0 CA-C-O 117.391 -1.29 . . . . 0.0 112.788 -179.445 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.253 1.279 0 CA-C-N 121.725 2.057 . . . . 0.0 114.967 179.577 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.311 -1.427 0 C-N-CA 122.153 1.902 . . . . 0.0 113.31 178.108 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.905 0 C-N-CA 129.807 3.243 . . . . 0.0 112.23 178.934 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.065 0 O-C-N 119.434 -2.041 . . . . 0.0 109.522 177.987 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.559 1.319 0 CA-C-O 115.567 -2.159 . . . . 0.0 109.269 179.697 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 127.405 2.94 . . . . 0.0 109.385 179.54 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.234 0 O-C-N 120.267 -1.521 . . . . 0.0 112.883 177.185 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-O 122.015 0.912 . . . . 0.0 113.335 179.077 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.273 0 C-N-CA 126.478 1.911 . . . . 0.0 109.237 179.712 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 125.131 1.519 . . . . 0.0 110.276 175.858 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.138 0 C-N-CA 127.107 2.163 . . . . 0.0 114.573 178.863 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 1.973 0 CA-C-O 117.136 -1.924 . . . . 0.0 112.388 178.468 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-N 118.114 0.957 . . . . 0.0 108.532 179.25 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 107.251 -1.388 . . . . 0.0 107.251 176.054 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.97 0 C-N-CA 123.953 0.901 . . . . 0.0 112.849 -179.508 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.499 0 N-CA-C 114.992 1.479 . . . . 0.0 114.992 -175.52 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.31 -1.133 0 C-N-CA 125.041 1.337 . . . . 0.0 108.08 175.103 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 177.285 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.21 -0.978 0 CA-C-N 114.293 -1.321 . . . . 0.0 110.104 -179.899 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-O 116.018 -1.944 . . . . 0.0 112.315 178.833 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.544 0 N-CA-C 116.56 2.059 . . . . 0.0 116.56 -174.917 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.601 0 CA-C-O 122.709 1.242 . . . . 0.0 112.298 -178.904 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 122.375 2.05 . . . . 0.0 115.159 -179.574 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 177.62 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.404 0 N-CA-C 115.174 1.546 . . . . 0.0 115.174 178.333 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.11 0 O-C-N 118.308 -2.745 . . . . 0.0 114.634 -179.078 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.304 0 N-CA-C 115.929 1.826 . . . . 0.0 115.929 179.694 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.051 0 CA-C-N 120.297 1.142 . . . . 0.0 114.887 -179.609 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.318 1.047 . . . . 0.0 112.012 179.873 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 O-C-N 125.095 1.497 . . . . 0.0 111.534 -179.781 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.328 0 N-CA-C 116.924 2.194 . . . . 0.0 116.924 179.107 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 127.662 2.385 . . . . 0.0 115.546 -178.04 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.246 0.875 0 N-CA-C 117.098 2.259 . . . . 0.0 117.098 -178.505 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.482 -2.024 0 CA-C-O 115.65 -2.75 . . . . 0.0 118.806 177.658 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.29 -1.999 1 CA-C-N 124.219 4.01 . . . . 0.0 111.389 179.711 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-O 115.652 -2.118 . . . . 0.0 106.282 177.469 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.302 -1.496 0 O-C-N 125.495 1.747 . . . . 0.0 107.634 -178.924 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.256 1.433 0 O-C-N 125.792 1.932 . . . . 0.0 111.48 -179.698 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-O 122.063 0.935 . . . . 0.0 110.688 179.456 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.043 0 N-CA-C 106.732 -1.581 . . . . 0.0 106.732 -179.897 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.266 1.96 0 O-C-N 125.978 2.049 . . . . 0.0 116.187 -179.779 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.777 0 CA-C-O 117.925 -1.036 . . . . 0.0 112.605 -178.253 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.485 1.959 0 N-CA-C 107.78 -2.128 . . . . 0.0 107.78 -178.43 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 125.383 2.516 . . . . 0.0 112.683 -177.831 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.244 0.807 0 CA-C-N 110.878 -2.873 . . . . 0.0 110.434 179.199 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.314 -0.949 0 O-C-N 126.377 2.298 . . . . 0.0 105.422 176.649 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.413 0 N-CA-C 117.787 2.514 . . . . 0.0 117.787 -176.53 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 178.809 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 103.875 -2.639 . . . . 0.0 103.875 177.061 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 CA-C-N 111.991 -2.368 . . . . 0.0 108.014 -179.305 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.29 0 N-CA-C 118.55 2.18 . . . . 0.0 118.55 -178.24 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.243 0.736 0 O-C-N 121.456 -1.026 . . . . 0.0 112.25 -179.665 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.614 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -177.223 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.828 0 CA-C-O 124.253 1.978 . . . . 0.0 110.025 -179.747 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.872 0 CA-C-N 113.391 -1.731 . . . . 0.0 108.37 -178.35 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.464 0.5 0 CA-C-N 114.029 -1.441 . . . . 0.0 110.195 179.273 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 124.821 0.953 . . . . 0.0 110.021 179.915 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.981 0 CA-C-N 114.419 -1.264 . . . . 0.0 109.349 179.294 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.187 0 O-C-N 124.508 1.13 . . . . 0.0 110.223 178.853 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.833 0 N-CA-C 119.03 2.372 . . . . 0.0 119.03 -179.667 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.214 -0.812 0 O-C-N 120.871 -1.37 . . . . 0.0 109.109 179.496 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 178.605 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.898 0 O-C-N 125.719 1.887 . . . . 0.0 110.251 179.168 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.312 0.577 . . . . 0.0 111.911 -179.189 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 115.708 -2.092 . . . . 0.0 108.813 -177.985 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.894 0 O-C-N 127.285 2.866 . . . . 0.0 110.366 178.746 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 117.665 -1.159 . . . . 0.0 109.571 -179.685 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 O-C-N 128.134 3.396 . . . . 0.0 112.798 -177.714 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.252 1.229 0 O-C-N 125.121 1.513 . . . . 0.0 111.754 -178.057 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 123.831 0.852 . . . . 0.0 110.207 178.275 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.292 -1.927 0 N-CA-C 118.007 2.595 . . . . 0.0 118.007 175.619 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.313 -1.016 0 C-N-CA 124.081 0.952 . . . . 0.0 109.127 177.521 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 127.415 2.947 . . . . 0.0 111.34 -177.957 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 129.968 3.307 . . . . 0.0 108.992 178.326 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.246 0.898 0 O-C-N 126.795 2.559 . . . . 0.0 113.747 -178.123 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 -178.365 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 124.743 1.277 . . . . 0.0 109.911 178.582 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.303 -1.422 0 C-N-CA 124.001 0.92 . . . . 0.0 109.212 178.983 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.87 0 C-N-CA 123.465 0.706 . . . . 0.0 112.698 -178.414 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-O 116.993 -1.479 . . . . 0.0 110.964 -177.838 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 CA-C-O 116.756 -1.592 . . . . 0.0 110.666 -176.921 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.252 1.197 0 CA-C-N 119.593 1.088 . . . . 0.0 112.838 -178.849 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 125.001 1.32 . . . . 0.0 111.697 -178.512 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 125.063 1.477 . . . . 0.0 108.279 -179.592 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 126.553 2.408 . . . . 0.0 111.654 -178.955 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 0.989 0 C-N-CA 120.18 -0.608 . . . . 0.0 110.501 177.576 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 -177.743 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.532 0 C-N-CA 125.676 1.591 . . . . 0.0 111.219 177.375 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 C--O 1.243 0.672 0 O-C-N 121.31 -0.869 . . . . 0.0 114.211 -179.397 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.617 0 N-CA-C 113.237 0.828 . . . . 0.0 113.237 179.229 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.653 0 O-C-N 119.846 -1.784 . . . . 0.0 109.634 -179.34 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.893 0 N-CA-C 116.426 2.01 . . . . 0.0 116.426 -177.008 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 125.323 1.639 . . . . 0.0 110.305 -176.62 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 112.588 -2.096 . . . . 0.0 108.273 176.055 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 N-CA-C 104.527 -2.398 . . . . 0.0 104.527 178.454 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 125.388 1.68 . . . . 0.0 108.298 -177.653 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.292 0 O-C-N 125.931 2.019 . . . . 0.0 111.021 -175.608 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.456 0 O-C-N 126.285 2.729 . . . . 0.0 115.04 -176.524 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.51 0 O-C-N 120.435 -1.415 . . . . 0.0 113.848 177.67 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.256 1.406 0 N-CA-C 115.616 1.71 . . . . 0.0 115.616 -176.991 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.263 1.803 0 CA-C-O 115.042 -2.409 . . . . 0.0 112.717 -178.649 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.261 1.665 0 CA-C-N 120.932 1.697 . . . . 0.0 114.807 -177.946 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.051 0 C-N-CA 127.063 2.145 . . . . 0.0 111.197 -179.523 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 126.188 2.18 . . . . 0.0 110.5 -179.784 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 107.028 -1.471 . . . . 0.0 107.028 177.902 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.747 0 C-N-CA 126.554 1.942 . . . . 0.0 112.61 179.041 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.175 0 CA-C-N 113.249 -1.796 . . . . 0.0 111.373 -177.682 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.309 -1.165 0 C-N-CA 123.833 0.853 . . . . 0.0 113.171 -179.071 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 104.152 -2.536 . . . . 0.0 104.152 177.465 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 104.824 -2.287 . . . . 0.0 104.824 178.683 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 128.475 3.609 . . . . 0.0 117.012 -175.622 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.329 0 N-CA-C 105.324 -3.11 . . . . 0.0 105.324 177.088 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.273 2.324 0 O-C-N 128.49 3.112 . . . . 0.0 106.556 179.783 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.849 0 C-N-CA 118.915 -1.114 . . . . 0.0 112.682 -177.613 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 177.544 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.846 0 CA-C-O 122.391 1.091 . . . . 0.0 108.127 176.44 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.306 0 C-N-CA 121.513 1.475 . . . . 0.0 111.838 -179.689 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 176.988 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 105.371 -2.085 . . . . 0.0 105.371 177.464 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 122.798 1.285 . . . . 0.0 110.095 -176.915 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.164 0 CA-C-N 112.703 -2.044 . . . . 0.0 112.769 179.422 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.222 0 CA-C-N 118.156 0.978 . . . . 0.0 110.742 179.838 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.947 0 O-C-N 123.468 1.246 . . . . 0.0 111.649 177.032 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 103.141 -2.911 . . . . 0.0 103.141 178.592 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.334 0 O-C-N 126.829 2.581 . . . . 0.0 112.244 -178.932 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.708 0 N-CA-C 107.587 -1.736 . . . . 0.0 107.587 -179.447 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.942 0 O-C-N 128.101 3.376 . . . . 0.0 103.026 179.881 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.266 1.973 0 CA-C-O 115.979 -1.962 . . . . 0.0 108.827 -179.957 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.809 0 N-CA-C 104.1 -3.6 . . . . 0.0 104.1 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.257 1.497 0 CA-C-O 115.667 -2.111 . . . . 0.0 109.463 -177.91 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.72 0 N-CA-C 103.711 -2.7 . . . . 0.0 103.711 -178.909 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.058 0 O-C-N 127.766 3.166 . . . . 0.0 113.529 -176.581 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 106.329 -1.73 . . . . 0.0 106.329 -179.065 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.92 0 O-C-N 126.306 2.254 . . . . 0.0 107.665 -178.818 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 120.712 -1.464 . . . . 0.0 110.271 -178.282 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.295 0 N-CA-C 100.633 -3.84 . . . . 0.0 100.633 -177.895 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.307 0 CA-C-O 115.265 -2.056 . . . . 0.0 112.125 179.298 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.808 0 CA-C-N 120.673 1.579 . . . . 0.0 109.587 177.797 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.42 0 CA-C-N 112.814 -1.994 . . . . 0.0 110.618 178.311 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.432 -1.338 0 O-C-N 120.878 -1.139 . . . . 0.0 110.455 178.534 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.556 1.18 0 O-C-N 125.829 1.956 . . . . 0.0 110.296 -178.377 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.072 0 O-C-N 127.04 2.713 . . . . 0.0 107.085 178.926 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.598 0 CA-C-O 122.174 0.988 . . . . 0.0 112.91 177.876 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.889 0 O-C-N 117.485 -3.26 . . . . 0.0 114.551 179.714 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.819 0 O-C-N 125.657 1.848 . . . . 0.0 108.149 179.503 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.568 1 O-C-N 129.25 4.094 . . . . 0.0 109.78 179.181 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 120.031 -1.668 . . . . 0.0 111.831 179.118 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.506 0 C-N-CA 125.17 1.388 . . . . 0.0 112.765 178.753 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.034 0 C-N-CA 127.977 2.703 . . . . 0.0 114.338 -179.065 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.284 0 C-N-CA 128.265 2.626 . . . . 0.0 111.466 -178.475 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 C-N-CA 117.551 -1.66 . . . . 0.0 107.372 -179.977 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.067 0 CA-C-O 117.307 -1.33 . . . . 0.0 108.995 -179.886 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 N--CA 1.49 1.289 0 C-N-CA 122.874 2.383 . . . . 0.0 111.748 178.181 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.007 0 O-C-N 118.683 -2.51 . . . . 0.0 115.7 -177.086 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.038 0 C-N-CA 126.596 1.958 . . . . 0.0 110.933 -176.579 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.945 0 C-N-CA 123.421 2.747 . . . . 0.0 115.507 174.506 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.296 -1.717 0 CA-C-N 121.301 1.864 . . . . 0.0 113.412 178.03 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 124.91 1.284 . . . . 0.0 108.076 179.97 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.851 0 C-N-CA 119.075 -1.05 . . . . 0.0 109.745 179.105 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.611 -0.681 . . . . 0.0 109.291 179.121 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 114.216 -1.356 . . . . 0.0 109.763 179.833 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 119.56 1.073 . . . . 0.0 111.971 -178.015 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-O 117.166 -1.397 . . . . 0.0 111.893 -178.048 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 -178.925 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.473 0 CA-C-N 114.578 -1.192 . . . . 0.0 109.174 179.725 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-O 124.911 2.291 . . . . 0.0 109.441 178.368 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.041 0 CA-C-N 112.73 -2.032 . . . . 0.0 111.31 178.756 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 121.094 1.77 . . . . 0.0 112.748 179.864 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.297 0 CA-C-O 118.399 -0.81 . . . . 0.0 112.225 -176.267 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 O-C-N 124.132 0.895 . . . . 0.0 109.129 -179.287 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-O 115.194 -2.336 . . . . 0.0 110.892 -178.141 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.225 0 O-C-N 127.63 3.082 . . . . 0.0 111.068 178.974 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.79 0 C-N-CA 127.386 2.274 . . . . 0.0 113.79 -177.16 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 125.969 2.043 . . . . 0.0 112.202 -179.945 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.394 0 CA-C-N 121.322 1.874 . . . . 0.0 114.827 179.872 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.586 0 C-N-CA 124.724 1.21 . . . . 0.0 111.452 179.594 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 107.154 -1.425 . . . . 0.0 107.154 178.921 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 178.242 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 O-C-N 124.802 1.314 . . . . 0.0 110.041 -178.651 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 113.614 -1.63 . . . . 0.0 111.054 178.335 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.509 0 C-N-CA 127.13 2.172 . . . . 0.0 112.542 -178.526 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 113.697 -1.592 . . . . 0.0 111.978 179.751 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 116.792 -1.575 . . . . 0.0 111.713 -178.32 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 126.512 2.383 . . . . 0.0 107.563 178.905 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.437 -1.082 0 C-N-CA 126.428 1.891 . . . . 0.0 113.158 179.237 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.615 -179.182 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.191 0 O-C-N 124.434 1.084 . . . . 0.0 108.229 178.126 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-O 116.57 -1.681 . . . . 0.0 112.096 179.064 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.537 0 N-CA-C 115.891 1.812 . . . . 0.0 115.891 -179.732 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 O-C-N 124.431 1.082 . . . . 0.0 111.126 -177.95 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.129 0 O-C-N 125.475 1.734 . . . . 0.0 111.352 -178.674 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.107 0 C-N-CA 127.301 2.24 . . . . 0.0 107.419 179.177 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 500' ' ' MXT . . . . . 1.057 H122 ' HA ' ' A' ' 41' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 600' ' ' MXT . . . . . 0.727 H231 ' O11' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.798 ' O ' ' O11' ' A' ' 500' ' ' MXT . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 1.049 ' CA ' H122 ' A' ' 500' ' ' MXT . 5.7 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 1.049 ' H ' H121 ' A' ' 500' ' ' MXT . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.295 0 O-C-N 125.664 1.852 . . . . 0.0 106.871 168.808 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.771 1 O-C-N 129.22 4.274 . . . . 0.0 107.993 -174.952 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.293 -1.888 0 CA-C-N 120.997 1.726 . . . . 0.0 112.596 -178.103 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.19 0 CA-C-N 114.205 -1.361 . . . . 0.0 110.897 -178.19 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.209 0 C-N-CA 126.938 2.095 . . . . 0.0 110.246 -176.918 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.481 0 O-C-N 120.874 -1.141 . . . . 0.0 109.855 179.567 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.258 1.55 0 N-CA-C 105.889 -1.893 . . . . 0.0 105.889 -176.717 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 127.118 2.761 . . . . 0.0 107.845 -179.404 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.78 0 CA-C-O 115.463 -2.208 . . . . 0.0 106.445 -177.884 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 C--N 1.278 -2.536 1 O-C-N 130.647 4.967 . . . . 0.0 106.359 169.645 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.122 0 CA-C-O 113.728 -3.034 . . . . 0.0 105.901 -179.815 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.443 0 CA-C-N 121.166 1.803 . . . . 0.0 110.005 -177.724 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.768 0 O-C-N 125.889 1.993 . . . . 0.0 105.814 -176.631 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.381 0 O-C-N 127.464 2.977 . . . . 0.0 112.785 -176.352 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.95 0 O-C-N 127.241 2.838 . . . . 0.0 112.254 177.588 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 122.155 2.252 . . . . 0.0 111.905 -179.669 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--O 1.225 -0.212 0 O-C-N 126.626 2.454 . . . . 0.0 109.707 -174.936 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.728 0 C-N-CA 124.696 3.597 . . . . 0.0 111.912 179.749 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.828 0 CA-C-N 111.687 -2.506 . . . . 0.0 106.752 179.174 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.315 -1.209 0 O-C-N 127.495 3.366 . . . . 0.0 107.898 179.014 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.501 0 O-C-N 124.298 1.683 . . . . 0.0 108.301 178.874 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.584 0 O-C-N 127.061 2.725 . . . . 0.0 112.209 179.92 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.991 0 C-N-CA 126.767 2.027 . . . . 0.0 114.947 -174.512 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.699 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 175.031 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 124.885 1.365 . . . . 0.0 113.623 -175.743 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.414 0 CA-C-O 117.388 -1.291 . . . . 0.0 112.756 -179.398 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.315 0 CA-C-N 121.746 2.066 . . . . 0.0 114.952 179.593 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.488 0 C-N-CA 122.125 1.883 . . . . 0.0 113.304 178.092 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.889 0 C-N-CA 129.798 3.239 . . . . 0.0 112.251 178.899 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.055 0 O-C-N 119.452 -2.03 . . . . 0.0 109.487 178.02 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.337 0 CA-C-O 115.621 -2.133 . . . . 0.0 109.268 179.729 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 127.384 2.927 . . . . 0.0 109.391 179.551 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.231 0 O-C-N 120.312 -1.493 . . . . 0.0 112.906 177.205 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 122.054 0.93 . . . . 0.0 113.37 178.976 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.255 0 C-N-CA 126.533 1.933 . . . . 0.0 109.259 179.749 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.296 -1.744 0 O-C-N 125.079 1.487 . . . . 0.0 110.207 175.898 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.168 0 C-N-CA 127.075 2.15 . . . . 0.0 114.6 178.851 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.028 0 CA-C-O 117.087 -1.951 . . . . 0.0 112.35 178.439 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-N 118.117 0.959 . . . . 0.0 108.515 179.27 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 176.105 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.96 0 C-N-CA 123.937 0.895 . . . . 0.0 112.853 -179.51 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.47 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 -175.502 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.086 0 C-N-CA 125.037 1.335 . . . . 0.0 108.136 175.047 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 177.284 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.212 -0.908 0 CA-C-N 114.295 -1.321 . . . . 0.0 110.084 -179.91 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-O 115.944 -1.979 . . . . 0.0 112.322 178.81 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.571 0 C-N-CA 126.823 2.049 . . . . 0.0 116.531 -174.869 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.61 0 CA-C-O 122.765 1.269 . . . . 0.0 112.284 -178.934 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.448 -1.183 0 C-N-CA 122.365 2.044 . . . . 0.0 115.142 -179.554 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 177.662 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.433 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 178.332 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.114 0 O-C-N 118.333 -2.729 . . . . 0.0 114.634 -179.084 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.326 0 N-CA-C 115.941 1.83 . . . . 0.0 115.941 179.728 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.048 0 CA-C-N 120.247 1.124 . . . . 0.0 114.843 -179.603 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.303 1.041 . . . . 0.0 112.004 179.92 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 O-C-N 125.04 1.463 . . . . 0.0 111.478 -179.731 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.253 1.283 0 N-CA-C 116.885 2.179 . . . . 0.0 116.885 179.134 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 127.636 2.374 . . . . 0.0 115.56 -178.031 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.821 0 N-CA-C 117.134 2.272 . . . . 0.0 117.134 -178.569 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.09 0 CA-C-O 115.697 -2.724 . . . . 0.0 118.904 177.669 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.951 0 CA-C-N 124.184 3.992 . . . . 0.0 111.34 179.72 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-O 115.669 -2.11 . . . . 0.0 106.265 177.478 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.518 0 O-C-N 125.49 1.744 . . . . 0.0 107.6 -178.937 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.461 0 O-C-N 125.749 1.905 . . . . 0.0 111.549 -179.674 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-O 122.146 0.974 . . . . 0.0 110.714 179.449 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.248 1.021 0 N-CA-C 106.745 -1.576 . . . . 0.0 106.745 -179.886 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 1.98 0 O-C-N 126.064 2.103 . . . . 0.0 116.197 -179.785 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.789 0 CA-C-O 117.912 -1.042 . . . . 0.0 112.549 -178.228 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 1.972 0 N-CA-C 107.828 -2.109 . . . . 0.0 107.828 -178.398 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 125.382 2.515 . . . . 0.0 112.691 -177.861 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.845 0 CA-C-N 110.906 -2.861 . . . . 0.0 110.436 179.196 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -0.995 0 O-C-N 126.354 2.284 . . . . 0.0 105.413 176.631 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.373 0 N-CA-C 117.816 2.524 . . . . 0.0 117.816 -176.569 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 108.539 -0.912 . . . . 0.0 108.539 178.852 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 103.822 -2.658 . . . . 0.0 103.822 177.068 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 CA-C-N 111.997 -2.365 . . . . 0.0 108.0 -179.304 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.305 0 N-CA-C 118.534 2.174 . . . . 0.0 118.534 -178.245 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.71 0 O-C-N 121.487 -1.008 . . . . 0.0 112.29 -179.694 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.636 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -177.166 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-O 124.243 1.973 . . . . 0.0 110.031 -179.786 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.901 0 CA-C-N 113.379 -1.737 . . . . 0.0 108.335 -178.358 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 C--N 1.318 -0.467 0 CA-C-N 114.095 -1.411 . . . . 0.0 110.171 179.274 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 124.813 0.949 . . . . 0.0 110.008 179.933 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.986 0 CA-C-N 114.339 -1.3 . . . . 0.0 109.345 179.313 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.215 0 O-C-N 124.577 1.173 . . . . 0.0 110.206 178.885 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.815 0 N-CA-C 119.048 2.379 . . . . 0.0 119.048 -179.687 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.214 -0.812 0 O-C-N 120.873 -1.369 . . . . 0.0 109.104 179.49 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 178.622 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.897 0 O-C-N 125.701 1.875 . . . . 0.0 110.262 179.138 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.293 0.568 . . . . 0.0 111.855 -179.158 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 115.698 -2.096 . . . . 0.0 108.802 -177.888 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.908 0 O-C-N 127.271 2.857 . . . . 0.0 110.383 178.666 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 117.712 -1.137 . . . . 0.0 109.616 -179.743 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 O-C-N 128.105 3.378 . . . . 0.0 112.803 -177.724 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.242 0 O-C-N 125.104 1.503 . . . . 0.0 111.743 -178.069 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 123.903 0.881 . . . . 0.0 110.189 178.272 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.292 -1.932 0 N-CA-C 118.044 2.609 . . . . 0.0 118.044 175.716 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.311 -1.074 0 C-N-CA 124.144 0.977 . . . . 0.0 109.069 177.495 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 127.417 2.948 . . . . 0.0 111.376 -177.965 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.391 0 C-N-CA 130.002 3.321 . . . . 0.0 109.004 178.317 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.246 0.914 0 O-C-N 126.735 2.522 . . . . 0.0 113.769 -178.094 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 115.272 1.582 . . . . 0.0 115.272 -178.415 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 124.756 1.285 . . . . 0.0 109.937 178.508 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 124.045 0.938 . . . . 0.0 109.207 178.994 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 123.484 0.714 . . . . 0.0 112.709 -178.481 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.307 -1.239 0 CA-C-O 117.017 -1.468 . . . . 0.0 111.028 -177.84 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 CA-C-O 116.796 -1.573 . . . . 0.0 110.708 -176.968 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-N 119.551 1.069 . . . . 0.0 112.843 -178.902 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 124.93 1.292 . . . . 0.0 111.686 -178.456 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 125.051 1.47 . . . . 0.0 108.302 -179.577 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 126.57 2.419 . . . . 0.0 111.624 -178.969 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 0.991 0 C-N-CA 120.203 -0.599 . . . . 0.0 110.476 177.581 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 114.322 1.23 . . . . 0.0 114.322 -177.706 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.536 0 C-N-CA 125.634 1.573 . . . . 0.0 111.269 177.371 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.466 0.644 0 O-C-N 121.322 -0.861 . . . . 0.0 114.237 -179.451 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.614 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 179.213 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 119.809 -1.807 . . . . 0.0 109.691 -179.365 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.921 0 N-CA-C 116.337 1.977 . . . . 0.0 116.337 -176.956 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 125.264 1.603 . . . . 0.0 110.319 -176.641 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 112.556 -2.111 . . . . 0.0 108.333 176.068 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 N-CA-C 104.518 -2.401 . . . . 0.0 104.518 178.458 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 125.417 1.698 . . . . 0.0 108.272 -177.674 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.279 0 O-C-N 125.896 1.998 . . . . 0.0 110.955 -175.555 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.474 -2.48 0 O-C-N 126.277 2.725 . . . . 0.0 115.003 -176.48 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.259 1.553 0 O-C-N 120.416 -1.428 . . . . 0.0 113.82 177.672 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.347 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 -176.958 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.264 1.827 0 CA-C-O 115.058 -2.401 . . . . 0.0 112.767 -178.712 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.638 0 CA-C-N 120.959 1.709 . . . . 0.0 114.821 -177.962 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.04 0 C-N-CA 127.024 2.13 . . . . 0.0 111.217 -179.583 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 O-C-N 126.223 2.202 . . . . 0.0 110.482 -179.719 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 125.368 1.467 . . . . 0.0 107.06 177.874 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.263 1.765 0 C-N-CA 126.624 1.969 . . . . 0.0 112.584 179.03 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.252 1.187 0 CA-C-N 113.221 -1.809 . . . . 0.0 111.446 -177.702 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.126 0 C-N-CA 123.843 0.857 . . . . 0.0 113.15 -179.127 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 104.169 -2.53 . . . . 0.0 104.169 177.437 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 104.788 -2.301 . . . . 0.0 104.788 178.687 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 128.465 3.603 . . . . 0.0 116.974 -175.649 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.32 0 N-CA-C 105.334 -3.106 . . . . 0.0 105.334 177.097 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.368 0 O-C-N 128.51 3.123 . . . . 0.0 106.538 179.788 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.244 0.811 0 C-N-CA 118.946 -1.102 . . . . 0.0 112.704 -177.624 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.74 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 177.555 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.244 0.807 0 CA-C-O 122.408 1.099 . . . . 0.0 108.101 176.427 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.308 0 C-N-CA 121.493 1.462 . . . . 0.0 111.884 -179.719 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 177.043 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 105.369 -2.086 . . . . 0.0 105.369 177.481 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 122.76 1.267 . . . . 0.0 110.106 -176.9 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.178 0 CA-C-N 112.679 -2.055 . . . . 0.0 112.728 176.922 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.211 0 CA-C-N 118.194 0.997 . . . . 0.0 110.763 179.628 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.959 0 O-C-N 123.504 1.265 . . . . 0.0 111.676 178.307 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.033 0 N-CA-C 103.192 -2.892 . . . . 0.0 103.192 179.59 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.349 0 O-C-N 126.853 2.596 . . . . 0.0 112.265 -179.53 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.44 -1.665 0 N-CA-C 107.617 -1.724 . . . . 0.0 107.617 -179.651 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.956 0 O-C-N 128.117 3.386 . . . . 0.0 103.06 179.064 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.266 1.966 0 CA-C-O 115.949 -1.977 . . . . 0.0 108.863 179.176 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 C--N 1.293 -1.831 0 N-CA-C 104.11 -3.596 . . . . 0.0 104.11 -179.411 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.525 0 CA-C-O 115.664 -2.112 . . . . 0.0 109.478 -177.091 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.742 0 N-CA-C 103.715 -2.698 . . . . 0.0 103.715 -179.988 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.071 0 O-C-N 127.766 3.166 . . . . 0.0 113.536 -179.079 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 106.327 -1.731 . . . . 0.0 106.327 -177.398 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.915 0 N-CA-C 107.589 -2.204 . . . . 0.0 107.589 -179.518 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 118.796 -2.591 . . . . 0.0 110.271 -177.526 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--N 1.403 2.935 0 N-CA-C 100.624 -3.843 . . . . 0.0 100.624 174.429 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.296 0 CA-C-O 115.206 -2.081 . . . . 0.0 112.104 -178.871 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.817 0 CA-C-N 120.708 1.595 . . . . 0.0 109.552 177.764 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.276 2.458 0 CA-C-N 112.877 -1.965 . . . . 0.0 110.586 178.329 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.293 0 O-C-N 120.925 -1.11 . . . . 0.0 110.444 178.551 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.161 0 O-C-N 125.809 1.943 . . . . 0.0 110.256 -178.383 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.077 0 O-C-N 126.991 2.682 . . . . 0.0 107.107 178.932 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.62 0 CA-C-O 122.191 0.996 . . . . 0.0 112.902 177.894 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.906 0 O-C-N 117.485 -3.259 . . . . 0.0 114.589 179.692 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.571 1.78 0 O-C-N 125.613 1.821 . . . . 0.0 108.157 179.483 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.584 1 O-C-N 129.241 4.088 . . . . 0.0 109.76 179.17 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 119.989 -1.694 . . . . 0.0 111.828 179.087 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.521 0 C-N-CA 125.11 1.364 . . . . 0.0 112.814 178.733 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.034 0 C-N-CA 128.06 2.743 . . . . 0.0 114.284 176.726 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.249 0 C-N-CA 128.255 2.622 . . . . 0.0 111.508 -179.294 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 C-N-CA 117.575 -1.65 . . . . 0.0 107.405 179.149 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.107 0 CA-C-O 117.298 -1.334 . . . . 0.0 109.02 177.444 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.327 0 C-N-CA 122.855 2.37 . . . . 0.0 111.747 176.411 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.0 0 O-C-N 118.638 -2.539 . . . . 0.0 115.691 -179.724 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.037 0 C-N-CA 126.626 1.97 . . . . 0.0 110.937 177.746 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.937 0 C-N-CA 123.44 2.76 . . . . 0.0 115.535 177.939 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-N 121.258 1.845 . . . . 0.0 113.482 177.996 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 124.969 1.307 . . . . 0.0 108.029 179.989 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.246 0.874 0 C-N-CA 119.048 -1.061 . . . . 0.0 109.746 179.09 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.533 -0.729 . . . . 0.0 109.29 179.088 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 114.234 -1.348 . . . . 0.0 109.729 179.841 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-N 119.585 1.084 . . . . 0.0 111.919 -177.914 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-O 117.053 -1.451 . . . . 0.0 111.829 -178.012 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 115.08 1.511 . . . . 0.0 115.08 -178.96 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.461 0 CA-C-N 114.542 -1.208 . . . . 0.0 109.138 179.746 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-O 124.835 2.255 . . . . 0.0 109.418 178.343 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.497 -1.065 0 CA-C-N 112.754 -2.021 . . . . 0.0 111.32 178.76 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.724 0 CA-C-N 121.132 1.787 . . . . 0.0 112.77 179.828 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.253 1.282 0 CA-C-O 118.459 -0.781 . . . . 0.0 112.268 -176.261 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 O-C-N 124.086 0.866 . . . . 0.0 109.104 -179.36 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-O 115.201 -2.333 . . . . 0.0 110.884 -178.155 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.229 0 O-C-N 127.591 3.057 . . . . 0.0 111.021 179.007 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.294 -1.805 0 C-N-CA 127.409 2.284 . . . . 0.0 113.795 -177.17 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 125.949 2.031 . . . . 0.0 112.25 -179.961 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.378 0 CA-C-N 121.278 1.854 . . . . 0.0 114.825 179.913 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.586 0 C-N-CA 124.851 1.261 . . . . 0.0 111.368 179.587 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 107.132 -1.432 . . . . 0.0 107.132 178.957 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 178.223 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 O-C-N 124.856 1.347 . . . . 0.0 110.034 -178.699 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.368 0 CA-C-N 113.673 -1.603 . . . . 0.0 111.031 178.367 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.3 -1.549 0 C-N-CA 127.119 2.168 . . . . 0.0 112.551 -178.578 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 113.725 -1.579 . . . . 0.0 112.003 179.737 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-O 116.704 -1.617 . . . . 0.0 111.662 -178.298 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 126.548 2.405 . . . . 0.0 107.543 178.911 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.06 0 C-N-CA 126.458 1.903 . . . . 0.0 113.127 179.247 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.642 -179.183 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.178 0 O-C-N 124.466 1.104 . . . . 0.0 108.239 178.147 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 116.58 -1.676 . . . . 0.0 112.102 179.015 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.257 1.498 0 N-CA-C 115.879 1.807 . . . . 0.0 115.879 -179.697 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 O-C-N 124.495 1.122 . . . . 0.0 111.134 -177.955 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.136 0 O-C-N 125.477 1.735 . . . . 0.0 111.348 -178.693 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.099 0 C-N-CA 127.236 2.214 . . . . 0.0 107.418 179.13 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 500' ' ' MXT . . . . . 1.049 H121 ' H ' ' A' ' 42' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 600' ' ' MXT . . . . . 0.863 H231 ' O11' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.619 ' HA ' H121 ' A' ' 500' ' ' MXT . 21.0 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.306 0 O-C-N 125.664 1.852 . . . . 0.0 106.864 170.238 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.713 1 O-C-N 129.197 4.262 . . . . 0.0 107.998 -176.038 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.91 0 CA-C-N 121.048 1.749 . . . . 0.0 112.636 -177.959 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.22 0 CA-C-N 114.232 -1.349 . . . . 0.0 110.896 -176.67 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.175 0 C-N-CA 126.995 2.118 . . . . 0.0 110.255 -176.511 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.46 0 O-C-N 120.878 -1.139 . . . . 0.0 109.872 179.44 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.577 0 N-CA-C 105.92 -1.881 . . . . 0.0 105.92 -177.824 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 127.075 2.734 . . . . 0.0 107.821 178.52 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.758 0 CA-C-O 115.484 -2.198 . . . . 0.0 106.436 178.038 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.539 1 O-C-N 130.695 4.997 . . . . 0.0 106.327 177.375 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.119 0 CA-C-O 113.737 -3.03 . . . . 0.0 105.836 -179.772 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.437 0 CA-C-N 121.143 1.792 . . . . 0.0 110.033 -177.774 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.798 0 O-C-N 125.88 1.988 . . . . 0.0 105.758 -176.605 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.36 0 O-C-N 127.481 2.988 . . . . 0.0 112.717 -176.358 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.954 0 O-C-N 127.225 2.828 . . . . 0.0 112.268 177.647 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.314 -0.938 0 O-C-N 119.066 -2.271 . . . . 0.0 111.9 -179.671 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--O 1.225 -0.199 0 O-C-N 126.62 2.45 . . . . 0.0 109.747 -174.879 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--O 1.242 0.713 0 C-N-CA 124.649 3.566 . . . . 0.0 111.942 179.797 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.849 0 CA-C-N 111.728 -2.487 . . . . 0.0 106.78 179.121 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.258 0 O-C-N 127.551 3.395 . . . . 0.0 107.922 179.0 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.507 0 CA-C-O 116.164 -1.682 . . . . 0.0 108.319 178.91 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.614 0 O-C-N 127.079 2.737 . . . . 0.0 112.186 179.955 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.291 -1.95 0 C-N-CA 126.779 2.032 . . . . 0.0 114.899 -174.447 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.706 0 N-CA-C 107.721 -1.215 . . . . 0.0 107.721 174.993 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 124.877 1.36 . . . . 0.0 113.611 -175.778 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.42 0 CA-C-O 117.398 -1.287 . . . . 0.0 112.763 -179.4 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.333 0 CA-C-N 121.769 2.077 . . . . 0.0 114.974 179.581 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.176 1.918 . . . . 0.0 113.33 178.054 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.901 0 C-N-CA 129.797 3.239 . . . . 0.0 112.255 178.896 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.058 0 O-C-N 119.456 -2.028 . . . . 0.0 109.557 177.98 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.364 0 CA-C-O 115.532 -2.175 . . . . 0.0 109.184 179.763 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 127.447 2.967 . . . . 0.0 109.39 179.591 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.253 1.245 0 O-C-N 120.277 -1.514 . . . . 0.0 112.877 177.228 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-O 122.038 0.923 . . . . 0.0 113.34 178.997 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.254 0 C-N-CA 126.477 1.911 . . . . 0.0 109.229 179.776 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 125.102 1.501 . . . . 0.0 110.257 175.899 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.269 2.111 0 C-N-CA 127.048 2.139 . . . . 0.0 114.57 178.887 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.013 0 CA-C-O 117.091 -1.949 . . . . 0.0 112.378 178.488 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-N 118.086 0.943 . . . . 0.0 108.486 179.265 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 176.01 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.939 0 C-N-CA 123.939 0.896 . . . . 0.0 112.871 -179.518 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.456 0 N-CA-C 114.957 1.466 . . . . 0.0 114.957 -175.515 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.102 0 C-N-CA 125.026 1.331 . . . . 0.0 108.123 175.047 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 177.259 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.973 0 CA-C-N 114.31 -1.313 . . . . 0.0 110.055 -179.882 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-O 115.97 -1.967 . . . . 0.0 112.328 178.776 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.276 -2.591 0 N-CA-C 116.579 2.066 . . . . 0.0 116.579 -174.861 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.585 0 CA-C-O 122.716 1.246 . . . . 0.0 112.314 -178.945 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 122.358 2.039 . . . . 0.0 115.094 -179.524 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 177.672 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.429 0 N-CA-C 115.174 1.546 . . . . 0.0 115.174 178.335 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.118 0 O-C-N 118.301 -2.75 . . . . 0.0 114.614 -179.062 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.253 1.265 0 N-CA-C 116.015 1.857 . . . . 0.0 116.015 179.684 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.064 0 CA-C-N 120.244 1.123 . . . . 0.0 114.856 -179.652 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.357 1.063 . . . . 0.0 112.038 179.847 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 O-C-N 125.021 1.451 . . . . 0.0 111.474 -179.73 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.255 1.352 0 N-CA-C 116.904 2.187 . . . . 0.0 116.904 179.1 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 127.688 2.395 . . . . 0.0 115.581 -178.116 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.851 0 N-CA-C 117.112 2.264 . . . . 0.0 117.112 -178.524 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.482 -2.007 0 CA-C-O 115.687 -2.729 . . . . 0.0 118.827 177.679 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.29 -1.986 0 CA-C-N 124.164 3.982 . . . . 0.0 111.368 179.719 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-O 115.598 -2.144 . . . . 0.0 106.285 177.535 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.527 0 O-C-N 125.5 1.75 . . . . 0.0 107.675 -178.997 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.477 0 O-C-N 125.782 1.926 . . . . 0.0 111.443 -179.648 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-O 122.087 0.946 . . . . 0.0 110.746 179.392 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.248 1.021 0 N-CA-C 106.71 -1.589 . . . . 0.0 106.71 -179.871 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 1.975 0 O-C-N 126.077 2.111 . . . . 0.0 116.158 -179.792 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.262 1.763 0 CA-C-O 117.936 -1.031 . . . . 0.0 112.59 -178.251 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 1.991 0 N-CA-C 107.808 -2.117 . . . . 0.0 107.808 -178.436 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 125.293 2.473 . . . . 0.0 112.691 -177.807 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.84 0 CA-C-N 110.915 -2.857 . . . . 0.0 110.409 179.212 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.314 -0.951 0 O-C-N 126.369 2.293 . . . . 0.0 105.4 176.637 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.362 0 N-CA-C 117.81 2.522 . . . . 0.0 117.81 -176.549 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 178.824 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 103.813 -2.662 . . . . 0.0 103.813 177.096 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 CA-C-N 111.988 -2.369 . . . . 0.0 107.993 -179.29 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.327 0 N-CA-C 118.575 2.19 . . . . 0.0 118.575 -178.234 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.685 0 O-C-N 121.438 -1.037 . . . . 0.0 112.219 -179.631 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.628 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -177.171 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.839 0 CA-C-O 124.252 1.977 . . . . 0.0 110.063 -179.796 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-N 113.436 -1.711 . . . . 0.0 108.397 -178.385 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.463 0.463 0 CA-C-N 114.048 -1.433 . . . . 0.0 110.19 179.271 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 124.803 0.943 . . . . 0.0 110.04 179.882 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.987 0 CA-C-N 114.369 -1.287 . . . . 0.0 109.353 179.322 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.224 0 O-C-N 124.5 1.125 . . . . 0.0 110.149 178.885 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.841 0 N-CA-C 119.073 2.389 . . . . 0.0 119.073 -179.627 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.817 0 O-C-N 120.912 -1.346 . . . . 0.0 109.101 179.481 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 107.127 -1.435 . . . . 0.0 107.127 178.582 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.874 0 O-C-N 125.763 1.914 . . . . 0.0 110.245 179.15 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.329 0.585 . . . . 0.0 111.845 -179.145 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 115.683 -2.103 . . . . 0.0 108.784 -177.879 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.927 0 O-C-N 127.295 2.872 . . . . 0.0 110.352 178.708 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 117.654 -1.165 . . . . 0.0 109.588 -179.685 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 O-C-N 128.168 3.418 . . . . 0.0 112.838 -177.727 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.283 0 O-C-N 125.151 1.532 . . . . 0.0 111.759 -178.104 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 123.87 0.868 . . . . 0.0 110.216 178.223 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.941 0 N-CA-C 118.075 2.621 . . . . 0.0 118.075 175.721 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.311 -1.068 0 C-N-CA 124.075 0.95 . . . . 0.0 109.111 177.501 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 127.371 2.919 . . . . 0.0 111.398 -177.941 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.408 0 C-N-CA 129.972 3.309 . . . . 0.0 108.942 178.363 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.941 0 O-C-N 126.779 2.549 . . . . 0.0 113.807 -178.168 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 115.276 1.584 . . . . 0.0 115.276 -178.428 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 124.751 1.282 . . . . 0.0 109.911 178.559 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.303 -1.431 0 C-N-CA 124.014 0.925 . . . . 0.0 109.168 179.022 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.884 0 C-N-CA 123.46 0.704 . . . . 0.0 112.715 -178.494 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.307 -1.261 0 CA-C-O 116.993 -1.48 . . . . 0.0 110.964 -177.806 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.632 0 CA-C-O 116.744 -1.598 . . . . 0.0 110.696 -176.975 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.136 0 CA-C-N 119.569 1.077 . . . . 0.0 112.844 -178.84 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 124.955 1.302 . . . . 0.0 111.711 -178.522 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 125.044 1.465 . . . . 0.0 108.282 -179.563 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 126.563 2.414 . . . . 0.0 111.622 -178.944 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.022 0 C-N-CA 120.231 -0.587 . . . . 0.0 110.498 177.575 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.717 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 -177.714 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.528 0 C-N-CA 125.605 1.562 . . . . 0.0 111.211 177.374 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.466 0.672 0 O-C-N 121.345 -0.847 . . . . 0.0 114.256 -179.473 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.51 -0.593 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 179.259 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 119.844 -1.785 . . . . 0.0 109.651 -179.328 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.895 0 N-CA-C 116.348 1.981 . . . . 0.0 116.348 -176.952 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 125.274 1.609 . . . . 0.0 110.28 -176.577 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 112.535 -2.121 . . . . 0.0 108.318 176.01 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 N-CA-C 104.509 -2.404 . . . . 0.0 104.509 178.527 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 125.406 1.691 . . . . 0.0 108.267 -177.69 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.304 0 O-C-N 125.898 1.999 . . . . 0.0 110.971 -175.506 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.474 -2.495 0 O-C-N 126.344 2.76 . . . . 0.0 115.053 -176.516 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.541 0 O-C-N 120.369 -1.457 . . . . 0.0 113.775 177.714 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.256 1.405 0 N-CA-C 115.61 1.707 . . . . 0.0 115.61 -176.995 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--N 1.294 -1.832 0 CA-C-O 115.089 -2.386 . . . . 0.0 112.776 -178.719 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.259 1.595 0 CA-C-N 120.947 1.703 . . . . 0.0 114.825 -178.035 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.311 -1.075 0 C-N-CA 127.049 2.14 . . . . 0.0 111.154 -179.494 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 O-C-N 126.213 2.195 . . . . 0.0 110.457 -179.73 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 177.896 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.748 0 C-N-CA 126.631 1.972 . . . . 0.0 112.579 179.027 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.15 0 CA-C-N 113.21 -1.814 . . . . 0.0 111.423 -177.706 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.133 0 C-N-CA 123.817 0.847 . . . . 0.0 113.149 -179.112 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 104.169 -2.53 . . . . 0.0 104.169 177.436 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.305 -1.37 0 N-CA-C 104.812 -2.292 . . . . 0.0 104.812 178.672 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 128.548 3.655 . . . . 0.0 116.95 -175.6 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.317 0 N-CA-C 105.313 -3.115 . . . . 0.0 105.313 177.125 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.367 0 O-C-N 128.459 3.094 . . . . 0.0 106.538 179.79 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.244 0.795 0 C-N-CA 118.934 -1.107 . . . . 0.0 112.642 -177.566 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.726 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 177.527 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.244 0.789 0 CA-C-O 122.448 1.118 . . . . 0.0 108.042 176.45 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.279 0 C-N-CA 121.492 1.462 . . . . 0.0 111.849 -179.727 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 177.041 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 105.374 -2.084 . . . . 0.0 105.374 177.471 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 122.809 1.29 . . . . 0.0 110.054 -176.911 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.25 1.126 0 CA-C-N 112.695 -2.048 . . . . 0.0 112.791 179.69 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.309 -1.192 0 CA-C-N 118.158 0.979 . . . . 0.0 110.721 179.805 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.924 0 O-C-N 123.497 1.262 . . . . 0.0 111.643 177.349 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 178.496 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.306 -1.32 0 O-C-N 126.863 2.602 . . . . 0.0 112.196 -178.557 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.681 0 N-CA-C 107.523 -1.76 . . . . 0.0 107.523 179.742 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.29 -1.984 0 O-C-N 128.117 3.386 . . . . 0.0 103.015 -179.832 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.266 1.969 0 CA-C-O 116.026 -1.94 . . . . 0.0 108.807 178.784 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.805 0 N-CA-C 104.088 -3.605 . . . . 0.0 104.088 -178.252 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.526 0 CA-C-O 115.659 -2.115 . . . . 0.0 109.481 -173.521 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.712 0 N-CA-C 103.7 -2.704 . . . . 0.0 103.7 179.733 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.09 0 O-C-N 127.759 3.162 . . . . 0.0 113.531 179.921 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 106.325 -1.732 . . . . 0.0 106.325 -178.829 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.931 0 O-C-N 126.286 2.241 . . . . 0.0 107.667 -178.901 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 120.064 -1.845 . . . . 0.0 110.271 -178.651 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.337 0 N-CA-C 100.616 -3.846 . . . . 0.0 100.616 -176.838 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.282 0 CA-C-O 115.245 -2.065 . . . . 0.0 112.136 178.221 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.81 0 CA-C-N 120.685 1.584 . . . . 0.0 109.594 177.772 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.398 0 CA-C-N 112.831 -1.986 . . . . 0.0 110.598 178.305 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.304 0 O-C-N 120.881 -1.137 . . . . 0.0 110.396 178.583 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.556 1.184 0 O-C-N 125.798 1.936 . . . . 0.0 110.258 -178.351 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.098 0 O-C-N 127.071 2.732 . . . . 0.0 107.05 178.979 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.6 0 CA-C-O 122.162 0.982 . . . . 0.0 112.936 177.882 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.887 0 O-C-N 117.502 -3.249 . . . . 0.0 114.562 179.682 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.811 0 O-C-N 125.581 1.801 . . . . 0.0 108.141 179.477 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.584 1 O-C-N 129.236 4.085 . . . . 0.0 109.781 179.188 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 120.042 -1.661 . . . . 0.0 111.878 179.025 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.506 0 C-N-CA 125.128 1.371 . . . . 0.0 112.742 178.749 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.06 0 C-N-CA 127.999 2.714 . . . . 0.0 114.306 -179.099 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.273 2.319 0 C-N-CA 128.282 2.633 . . . . 0.0 111.528 -178.049 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 C-N-CA 117.609 -1.636 . . . . 0.0 107.379 179.843 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.081 0 CA-C-O 117.286 -1.34 . . . . 0.0 108.984 179.093 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.298 0 C-N-CA 122.889 2.392 . . . . 0.0 111.771 179.579 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.002 0 O-C-N 118.648 -2.533 . . . . 0.0 115.681 -176.767 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.045 0 C-N-CA 126.582 1.953 . . . . 0.0 110.91 -179.778 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.936 0 C-N-CA 123.418 2.745 . . . . 0.0 115.524 179.116 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.298 -1.67 0 CA-C-N 121.293 1.86 . . . . 0.0 113.405 178.025 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 124.943 1.297 . . . . 0.0 108.069 179.996 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.83 0 C-N-CA 119.062 -1.055 . . . . 0.0 109.78 179.085 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.643 -0.661 . . . . 0.0 109.32 179.062 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 114.206 -1.361 . . . . 0.0 109.767 179.832 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-N 119.562 1.074 . . . . 0.0 111.938 -177.988 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-O 117.073 -1.441 . . . . 0.0 111.844 -178.016 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 115.078 1.511 . . . . 0.0 115.078 -178.921 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.478 0 CA-C-N 114.599 -1.182 . . . . 0.0 109.175 179.69 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-O 124.876 2.275 . . . . 0.0 109.413 178.341 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.02 0 CA-C-N 112.733 -2.031 . . . . 0.0 111.278 178.812 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-N 121.145 1.793 . . . . 0.0 112.724 179.857 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.309 0 CA-C-O 118.5 -0.762 . . . . 0.0 112.337 -176.314 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 O-C-N 124.053 0.845 . . . . 0.0 109.117 -179.353 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-O 115.168 -2.349 . . . . 0.0 110.908 -178.134 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.307 -1.243 0 O-C-N 127.64 3.088 . . . . 0.0 110.973 179.013 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.294 -1.81 0 C-N-CA 127.391 2.276 . . . . 0.0 113.778 -177.154 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 125.939 2.024 . . . . 0.0 112.153 -179.882 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.255 1.426 0 CA-C-N 121.324 1.875 . . . . 0.0 114.824 179.865 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.581 0 C-N-CA 124.792 1.237 . . . . 0.0 111.422 179.605 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 178.962 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 178.216 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 O-C-N 124.806 1.316 . . . . 0.0 109.982 -178.654 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-N 113.667 -1.606 . . . . 0.0 111.005 178.382 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 127.143 2.177 . . . . 0.0 112.54 -178.519 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 113.691 -1.595 . . . . 0.0 111.946 179.783 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-O 116.741 -1.6 . . . . 0.0 111.671 -178.299 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 126.509 2.38 . . . . 0.0 107.523 178.885 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.041 0 C-N-CA 126.348 1.859 . . . . 0.0 113.17 179.266 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.609 -179.183 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.181 0 O-C-N 124.424 1.078 . . . . 0.0 108.201 178.149 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-O 116.575 -1.679 . . . . 0.0 112.137 179.038 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.507 0 N-CA-C 115.871 1.804 . . . . 0.0 115.871 -179.737 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 O-C-N 124.449 1.093 . . . . 0.0 111.126 -177.904 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.149 0 O-C-N 125.473 1.733 . . . . 0.0 111.33 -178.667 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.095 0 C-N-CA 127.284 2.234 . . . . 0.0 107.469 179.087 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 500' ' ' MXT . . . . . 0.9 H231 ' O11' ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 600' ' ' MXT . . . . . 0.878 H231 ' O11' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.788 ' O ' ' C14' ' A' ' 500' ' ' MXT . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.978 ' C ' H121 ' A' ' 500' ' ' MXT . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 1.137 ' N ' ' C12' ' A' ' 500' ' ' MXT . 10.2 t -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.296 0 O-C-N 125.664 1.852 . . . . 0.0 106.896 166.24 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.692 1 O-C-N 129.178 4.252 . . . . 0.0 108.001 -173.75 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.935 0 CA-C-N 121.088 1.767 . . . . 0.0 112.633 -178.085 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.502 2.154 0 CA-C-N 114.21 -1.359 . . . . 0.0 110.92 -176.123 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.174 0 C-N-CA 126.945 2.098 . . . . 0.0 110.214 -177.487 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.256 1.442 0 O-C-N 120.856 -1.152 . . . . 0.0 109.856 178.348 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.58 0 N-CA-C 105.952 -1.87 . . . . 0.0 105.952 -177.243 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 127.069 2.731 . . . . 0.0 107.839 178.0 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.778 0 CA-C-O 115.479 -2.201 . . . . 0.0 106.417 179.774 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.552 1 O-C-N 130.662 4.976 . . . . 0.0 106.31 173.238 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.147 0 CA-C-O 113.766 -3.016 . . . . 0.0 105.872 -179.845 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.472 0 CA-C-N 121.08 1.763 . . . . 0.0 109.996 -177.776 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.795 0 O-C-N 125.881 1.988 . . . . 0.0 105.741 -176.558 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.366 0 O-C-N 127.497 2.998 . . . . 0.0 112.777 -176.381 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.267 1.985 0 O-C-N 127.246 2.841 . . . . 0.0 112.268 177.659 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.93 0 O-C-N 119.048 -2.282 . . . . 0.0 111.91 -179.713 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.331 -0.216 0 O-C-N 126.668 2.48 . . . . 0.0 109.694 -174.877 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--O 1.242 0.684 0 C-N-CA 124.65 3.566 . . . . 0.0 111.926 179.744 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.475 0.817 0 CA-C-N 111.766 -2.47 . . . . 0.0 106.772 179.148 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.238 0 O-C-N 127.449 3.342 . . . . 0.0 107.931 178.977 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.329 -0.473 0 C-N-CA 121.843 1.696 . . . . 0.0 108.269 178.928 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.605 0 O-C-N 127.089 2.743 . . . . 0.0 112.126 179.968 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -2.008 0 C-N-CA 126.75 2.02 . . . . 0.0 114.898 -174.465 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.698 0 N-CA-C 107.718 -1.215 . . . . 0.0 107.718 174.996 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.3 0 O-C-N 124.91 1.381 . . . . 0.0 113.668 -175.795 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.432 0 CA-C-O 117.364 -1.303 . . . . 0.0 112.764 -179.418 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.311 0 CA-C-N 121.75 2.068 . . . . 0.0 114.983 179.601 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.475 0 C-N-CA 122.149 1.9 . . . . 0.0 113.281 178.081 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.293 -1.889 0 C-N-CA 129.795 3.238 . . . . 0.0 112.242 178.941 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.051 0 O-C-N 119.487 -2.008 . . . . 0.0 109.498 177.999 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.559 1.323 0 CA-C-O 115.535 -2.174 . . . . 0.0 109.21 179.734 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 127.417 2.948 . . . . 0.0 109.389 179.606 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.253 1.253 0 O-C-N 120.287 -1.508 . . . . 0.0 112.9 177.142 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 122.054 0.93 . . . . 0.0 113.322 179.046 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.264 0 C-N-CA 126.487 1.915 . . . . 0.0 109.286 179.711 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 125.088 1.492 . . . . 0.0 110.262 175.869 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.182 0 C-N-CA 127.071 2.149 . . . . 0.0 114.622 178.793 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.545 1.965 0 CA-C-O 117.076 -1.958 . . . . 0.0 112.364 178.498 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-N 118.175 0.988 . . . . 0.0 108.525 179.285 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 107.251 -1.388 . . . . 0.0 107.251 176.03 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.248 0.99 0 C-N-CA 123.884 0.874 . . . . 0.0 112.843 -179.456 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.486 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -175.519 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.31 -1.13 0 C-N-CA 125.003 1.321 . . . . 0.0 108.079 175.046 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 177.245 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.212 -0.912 0 CA-C-N 114.314 -1.312 . . . . 0.0 110.113 -179.941 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-O 116.041 -1.933 . . . . 0.0 112.348 178.799 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.278 -2.526 0 N-CA-C 116.579 2.066 . . . . 0.0 116.579 -174.884 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.573 0 CA-C-O 122.783 1.278 . . . . 0.0 112.291 -178.953 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 122.409 2.072 . . . . 0.0 115.106 -179.526 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 177.618 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.44 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 178.33 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.101 0 O-C-N 118.333 -2.729 . . . . 0.0 114.643 -179.081 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.323 0 N-CA-C 115.959 1.837 . . . . 0.0 115.959 179.666 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.066 0 CA-C-N 120.289 1.139 . . . . 0.0 114.871 -179.62 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.277 1.031 . . . . 0.0 112.043 179.865 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 O-C-N 125.077 1.486 . . . . 0.0 111.486 -179.762 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.255 1.374 0 N-CA-C 116.88 2.178 . . . . 0.0 116.88 179.137 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 127.62 2.368 . . . . 0.0 115.572 -178.075 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.246 0.893 0 N-CA-C 117.113 2.264 . . . . 0.0 117.113 -178.532 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.482 -2.024 0 CA-C-O 115.677 -2.735 . . . . 0.0 118.869 177.659 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.937 0 CA-C-N 124.135 3.968 . . . . 0.0 111.363 179.715 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-O 115.646 -2.121 . . . . 0.0 106.288 177.502 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.528 0 O-C-N 125.489 1.743 . . . . 0.0 107.597 -178.936 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.452 0 O-C-N 125.743 1.902 . . . . 0.0 111.49 -179.633 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-O 122.155 0.979 . . . . 0.0 110.688 179.45 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.033 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 -179.893 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.266 1.967 0 O-C-N 126.049 2.093 . . . . 0.0 116.197 -179.809 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.808 0 CA-C-O 117.916 -1.04 . . . . 0.0 112.594 -178.227 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 1.972 0 N-CA-C 107.812 -2.115 . . . . 0.0 107.812 -178.378 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 125.351 2.501 . . . . 0.0 112.667 -177.845 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.836 0 CA-C-N 110.901 -2.863 . . . . 0.0 110.422 179.214 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.314 -0.961 0 O-C-N 126.35 2.281 . . . . 0.0 105.402 176.631 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.355 0 N-CA-C 117.799 2.518 . . . . 0.0 117.799 -176.56 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 178.814 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 103.798 -2.668 . . . . 0.0 103.798 177.062 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 CA-C-N 112.038 -2.346 . . . . 0.0 108.095 -179.38 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.289 0 N-CA-C 118.531 2.172 . . . . 0.0 118.531 -178.169 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.672 0 O-C-N 121.509 -0.994 . . . . 0.0 112.204 -179.616 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.611 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -177.151 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.848 0 CA-C-O 124.239 1.971 . . . . 0.0 110.076 -179.792 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.247 0.925 0 CA-C-N 113.436 -1.711 . . . . 0.0 108.34 -178.361 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 C--N 1.317 -0.481 0 CA-C-N 114.07 -1.423 . . . . 0.0 110.181 179.274 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 124.802 0.942 . . . . 0.0 110.031 179.912 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.984 0 CA-C-N 114.33 -1.304 . . . . 0.0 109.326 179.31 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.484 1.239 0 O-C-N 124.541 1.15 . . . . 0.0 110.161 178.912 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.825 0 N-CA-C 119.078 2.391 . . . . 0.0 119.078 -179.683 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.214 -0.792 0 O-C-N 120.856 -1.379 . . . . 0.0 109.11 179.454 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 107.049 -1.463 . . . . 0.0 107.049 178.614 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.876 0 O-C-N 125.648 1.843 . . . . 0.0 110.278 179.14 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.306 0.574 . . . . 0.0 111.851 -179.153 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 115.757 -2.068 . . . . 0.0 108.812 -177.912 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.293 -1.883 0 O-C-N 127.259 2.85 . . . . 0.0 110.35 178.75 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 117.683 -1.151 . . . . 0.0 109.586 -179.709 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 O-C-N 128.142 3.402 . . . . 0.0 112.869 -177.753 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.255 0 O-C-N 125.14 1.525 . . . . 0.0 111.772 -178.112 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 123.853 0.861 . . . . 0.0 110.189 178.23 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.29 -1.985 0 N-CA-C 118.028 2.603 . . . . 0.0 118.028 175.631 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.055 0 C-N-CA 124.087 0.955 . . . . 0.0 109.116 177.473 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 127.441 2.963 . . . . 0.0 111.36 -177.939 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.305 -1.362 0 C-N-CA 129.997 3.319 . . . . 0.0 108.979 178.324 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.951 0 O-C-N 126.826 2.579 . . . . 0.0 113.77 -178.154 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 -178.39 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 124.737 1.273 . . . . 0.0 109.948 178.501 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 124.018 0.927 . . . . 0.0 109.147 179.067 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 123.438 0.695 . . . . 0.0 112.711 -178.481 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-O 117.016 -1.469 . . . . 0.0 110.99 -177.858 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.63 0 CA-C-O 116.747 -1.597 . . . . 0.0 110.691 -176.961 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.176 0 CA-C-N 119.513 1.051 . . . . 0.0 112.827 -178.835 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 124.96 1.304 . . . . 0.0 111.663 -178.438 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 124.979 1.424 . . . . 0.0 108.282 -179.58 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 126.569 2.418 . . . . 0.0 111.648 -178.965 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.249 1.034 0 C-N-CA 120.167 -0.613 . . . . 0.0 110.535 177.526 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 -177.767 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.522 0 C-N-CA 125.717 1.607 . . . . 0.0 111.241 177.382 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.466 0.662 0 O-C-N 121.339 -0.851 . . . . 0.0 114.238 -179.419 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.633 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 179.259 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.322 -0.622 0 O-C-N 119.804 -1.81 . . . . 0.0 109.641 -179.32 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 116.332 1.975 . . . . 0.0 116.332 -176.928 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 125.266 1.604 . . . . 0.0 110.308 -176.667 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 112.565 -2.107 . . . . 0.0 108.341 176.012 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 N-CA-C 104.455 -2.424 . . . . 0.0 104.455 178.514 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 125.316 1.635 . . . . 0.0 108.3 -177.718 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.304 -1.242 0 O-C-N 125.852 1.97 . . . . 0.0 111.0 -175.537 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.443 0 O-C-N 126.254 2.713 . . . . 0.0 115.046 -176.523 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.522 0 O-C-N 120.424 -1.422 . . . . 0.0 113.825 177.711 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.363 0 N-CA-C 115.618 1.71 . . . . 0.0 115.618 -176.994 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.263 1.815 0 CA-C-O 115.081 -2.39 . . . . 0.0 112.834 -178.778 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.261 1.665 0 CA-C-N 120.923 1.692 . . . . 0.0 114.814 -177.99 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.311 -1.083 0 C-N-CA 127.07 2.148 . . . . 0.0 111.201 -179.553 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.432 0 O-C-N 126.171 2.17 . . . . 0.0 110.454 -179.737 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 125.364 1.466 . . . . 0.0 107.081 177.856 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.261 1.676 0 C-N-CA 126.556 1.943 . . . . 0.0 112.621 179.024 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.159 0 CA-C-N 113.171 -1.831 . . . . 0.0 111.446 -177.729 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.125 0 C-N-CA 123.815 0.846 . . . . 0.0 113.167 -179.078 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 104.19 -2.522 . . . . 0.0 104.19 177.409 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 104.867 -2.272 . . . . 0.0 104.867 178.613 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 128.488 3.617 . . . . 0.0 116.996 -175.598 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.332 0 N-CA-C 105.315 -3.114 . . . . 0.0 105.315 177.045 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.372 0 O-C-N 128.495 3.115 . . . . 0.0 106.567 179.767 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.244 0.806 0 C-N-CA 118.962 -1.095 . . . . 0.0 112.719 -177.6 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.774 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 177.596 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.828 0 CA-C-O 122.468 1.128 . . . . 0.0 108.066 176.437 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 121.504 1.47 . . . . 0.0 111.823 -179.702 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 176.975 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 105.348 -2.093 . . . . 0.0 105.348 177.53 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 122.789 1.28 . . . . 0.0 110.104 -176.933 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.199 0 CA-C-N 112.673 -2.058 . . . . 0.0 112.759 -179.946 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.207 0 CA-C-N 118.192 0.996 . . . . 0.0 110.78 179.948 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.969 0 O-C-N 123.475 1.25 . . . . 0.0 111.683 177.389 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 103.152 -2.907 . . . . 0.0 103.152 178.536 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.306 -1.321 0 O-C-N 126.85 2.594 . . . . 0.0 112.221 -177.865 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.721 0 N-CA-C 107.57 -1.742 . . . . 0.0 107.57 177.982 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.969 0 O-C-N 128.146 3.404 . . . . 0.0 102.991 179.911 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.266 1.97 0 CA-C-O 116.051 -1.928 . . . . 0.0 108.78 -178.173 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.795 0 N-CA-C 104.074 -3.61 . . . . 0.0 104.074 178.769 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.527 0 CA-C-O 115.64 -2.124 . . . . 0.0 109.491 -177.049 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.72 0 N-CA-C 103.728 -2.693 . . . . 0.0 103.728 -179.485 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.066 0 O-C-N 127.729 3.143 . . . . 0.0 113.496 -178.961 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 106.334 -1.728 . . . . 0.0 106.334 -177.951 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.925 0 N-CA-C 107.617 -2.193 . . . . 0.0 107.617 -179.474 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.567 -2.137 . . . . 0.0 110.271 -178.089 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.312 1 O-C-N 115.441 -4.537 . . . . 0.0 100.616 -171.093 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.445 -1.34 0 CA-C-O 115.273 -2.053 . . . . 0.0 112.127 177.635 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.272 -2.795 0 CA-C-N 120.677 1.58 . . . . 0.0 109.561 177.81 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.425 0 CA-C-N 112.806 -1.997 . . . . 0.0 110.621 178.351 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.283 0 O-C-N 120.956 -1.09 . . . . 0.0 110.385 178.571 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.15 0 O-C-N 125.832 1.957 . . . . 0.0 110.281 -178.383 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.289 -2.058 0 O-C-N 127.026 2.704 . . . . 0.0 107.029 178.995 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.484 -1.594 0 CA-C-O 122.195 0.998 . . . . 0.0 112.961 177.873 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.895 0 O-C-N 117.518 -3.238 . . . . 0.0 114.589 179.658 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.798 0 O-C-N 125.618 1.824 . . . . 0.0 108.126 179.466 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.579 1 O-C-N 129.244 4.09 . . . . 0.0 109.77 179.233 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 120.054 -1.654 . . . . 0.0 111.862 179.039 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.53 0 C-N-CA 125.107 1.363 . . . . 0.0 112.786 178.717 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.054 0 C-N-CA 128.013 2.721 . . . . 0.0 114.268 -179.232 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.273 2.29 0 C-N-CA 128.296 2.638 . . . . 0.0 111.496 -178.431 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 C-N-CA 117.571 -1.652 . . . . 0.0 107.394 179.927 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.074 0 CA-C-O 117.239 -1.363 . . . . 0.0 109.035 179.983 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.32 0 C-N-CA 122.857 2.371 . . . . 0.0 111.734 178.798 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.017 0 O-C-N 118.614 -2.554 . . . . 0.0 115.712 -177.897 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.058 0 C-N-CA 126.649 1.98 . . . . 0.0 110.921 178.235 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.936 0 C-N-CA 123.411 2.74 . . . . 0.0 115.517 -179.664 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.692 0 CA-C-N 121.308 1.867 . . . . 0.0 113.479 177.965 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 124.945 1.298 . . . . 0.0 108.018 -179.979 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.246 0.877 0 C-N-CA 119.066 -1.053 . . . . 0.0 109.776 179.054 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.62 -0.675 . . . . 0.0 109.332 179.085 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 114.257 -1.338 . . . . 0.0 109.759 179.865 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 119.55 1.068 . . . . 0.0 111.962 -178.011 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-O 117.055 -1.45 . . . . 0.0 111.818 -178.018 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 -178.927 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.453 0 CA-C-N 114.615 -1.175 . . . . 0.0 109.178 179.731 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-O 124.873 2.273 . . . . 0.0 109.423 178.314 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.033 0 CA-C-N 112.743 -2.026 . . . . 0.0 111.329 178.764 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-N 121.094 1.77 . . . . 0.0 112.709 179.857 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.301 0 CA-C-O 118.49 -0.767 . . . . 0.0 112.284 -176.275 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 O-C-N 124.061 0.85 . . . . 0.0 109.103 -179.337 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-O 115.218 -2.325 . . . . 0.0 110.866 -178.072 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.307 -1.25 0 O-C-N 127.585 3.053 . . . . 0.0 111.068 178.97 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.771 0 C-N-CA 127.403 2.281 . . . . 0.0 113.744 -177.155 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 125.965 2.041 . . . . 0.0 112.186 -179.887 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.381 0 CA-C-N 121.275 1.852 . . . . 0.0 114.826 179.862 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.593 0 C-N-CA 124.787 1.235 . . . . 0.0 111.432 179.566 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 107.181 -1.415 . . . . 0.0 107.181 178.967 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.233 0 N-CA-C 107.307 -1.368 . . . . 0.0 107.307 178.203 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 O-C-N 124.836 1.335 . . . . 0.0 110.047 -178.695 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-N 113.688 -1.597 . . . . 0.0 110.997 178.351 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 127.094 2.157 . . . . 0.0 112.535 -178.533 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 113.726 -1.579 . . . . 0.0 111.971 179.758 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-O 116.775 -1.583 . . . . 0.0 111.685 -178.29 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 126.513 2.383 . . . . 0.0 107.579 178.898 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 C--N 1.312 -1.032 0 C-N-CA 126.382 1.873 . . . . 0.0 113.13 179.277 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.638 -179.229 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.169 0 O-C-N 124.413 1.07 . . . . 0.0 108.185 178.148 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 116.554 -1.688 . . . . 0.0 112.108 179.023 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.518 0 N-CA-C 115.884 1.809 . . . . 0.0 115.884 -179.726 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 O-C-N 124.46 1.1 . . . . 0.0 111.151 -177.945 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.311 -1.108 0 O-C-N 125.438 1.711 . . . . 0.0 111.399 -178.688 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.04 0 C-N-CA 127.253 2.221 . . . . 0.0 107.481 179.099 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 500' ' ' MXT . . . . . 1.137 ' C12' ' N ' ' A' ' 41' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 600' ' ' MXT . . . . . 0.729 ' O12' H231 ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 23.4 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.301 0 O-C-N 125.664 1.852 . . . . 0.0 106.882 170.273 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.729 1 O-C-N 129.183 4.254 . . . . 0.0 107.996 -176.065 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.944 0 CA-C-N 121.029 1.74 . . . . 0.0 112.644 -178.394 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.193 0 CA-C-N 114.238 -1.346 . . . . 0.0 110.916 -178.766 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.191 0 C-N-CA 127.011 2.124 . . . . 0.0 110.264 -177.918 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.453 0 O-C-N 120.908 -1.12 . . . . 0.0 109.818 179.141 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.26 1.612 0 N-CA-C 105.916 -1.883 . . . . 0.0 105.916 -178.062 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 127.127 2.767 . . . . 0.0 107.818 179.305 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.572 1.806 0 CA-C-O 115.439 -2.22 . . . . 0.0 106.433 179.591 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 C--N 1.278 -2.531 1 O-C-N 130.683 4.989 . . . . 0.0 106.32 177.581 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.177 0 CA-C-O 113.728 -3.034 . . . . 0.0 105.896 -179.814 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-N 121.176 1.807 . . . . 0.0 110.025 -177.761 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.793 0 O-C-N 125.857 1.973 . . . . 0.0 105.771 -176.563 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.254 1.342 0 O-C-N 127.502 3.002 . . . . 0.0 112.748 -176.319 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.926 0 O-C-N 127.186 2.804 . . . . 0.0 112.282 177.617 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.91 0 O-C-N 119.123 -2.236 . . . . 0.0 111.926 -179.639 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.331 -0.207 0 O-C-N 126.634 2.459 . . . . 0.0 109.713 -174.894 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.323 -0.775 0 C-N-CA 124.674 3.583 . . . . 0.0 111.972 179.7 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.857 0 CA-C-N 111.724 -2.489 . . . . 0.0 106.717 179.157 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.26 0 O-C-N 127.533 3.386 . . . . 0.0 107.892 178.981 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.329 -0.498 0 C-N-CA 121.867 1.711 . . . . 0.0 108.28 178.886 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.595 0 O-C-N 127.043 2.714 . . . . 0.0 112.155 179.929 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.996 0 C-N-CA 126.712 2.005 . . . . 0.0 114.899 -174.427 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.703 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 175.005 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.299 0 O-C-N 124.858 1.349 . . . . 0.0 113.681 -175.806 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.403 0 CA-C-O 117.41 -1.281 . . . . 0.0 112.781 -179.413 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.253 1.259 0 CA-C-N 121.734 2.061 . . . . 0.0 114.935 179.634 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.454 0 C-N-CA 122.096 1.864 . . . . 0.0 113.311 178.161 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.893 0 C-N-CA 129.811 3.244 . . . . 0.0 112.273 178.858 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.051 0 O-C-N 119.404 -2.06 . . . . 0.0 109.523 177.987 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.345 0 CA-C-O 115.598 -2.144 . . . . 0.0 109.258 179.724 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 127.403 2.94 . . . . 0.0 109.381 179.594 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.253 1.241 0 O-C-N 120.33 -1.481 . . . . 0.0 112.883 177.189 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 122.023 0.916 . . . . 0.0 113.351 179.023 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.306 -1.286 0 C-N-CA 126.495 1.918 . . . . 0.0 109.276 179.737 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.78 0 O-C-N 125.184 1.552 . . . . 0.0 110.247 175.837 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.142 0 C-N-CA 127.106 2.163 . . . . 0.0 114.601 178.814 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.008 0 CA-C-O 117.035 -1.98 . . . . 0.0 112.348 178.47 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 118.16 0.98 . . . . 0.0 108.555 179.235 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 107.265 -1.383 . . . . 0.0 107.265 176.033 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.942 0 C-N-CA 123.896 0.878 . . . . 0.0 112.857 -179.467 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.463 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -175.569 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.31 -1.131 0 C-N-CA 125.025 1.33 . . . . 0.0 108.084 175.097 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 177.271 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.927 0 CA-C-N 114.318 -1.31 . . . . 0.0 110.066 -179.894 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-O 116.009 -1.948 . . . . 0.0 112.311 178.813 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.278 -2.524 0 N-CA-C 116.585 2.068 . . . . 0.0 116.585 -174.879 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.618 0 CA-C-O 122.755 1.264 . . . . 0.0 112.305 -178.969 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 122.43 2.086 . . . . 0.0 115.113 -179.563 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 177.644 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.441 0 N-CA-C 115.192 1.553 . . . . 0.0 115.192 178.319 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.497 -1.084 0 O-C-N 118.362 -2.711 . . . . 0.0 114.597 -179.077 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.337 0 N-CA-C 115.989 1.848 . . . . 0.0 115.989 179.669 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.04 0 CA-C-N 120.27 1.132 . . . . 0.0 114.891 -179.655 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.241 1.017 . . . . 0.0 112.07 179.835 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 O-C-N 125.049 1.468 . . . . 0.0 111.47 -179.753 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.305 0 N-CA-C 116.918 2.192 . . . . 0.0 116.918 179.139 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 127.611 2.364 . . . . 0.0 115.568 -178.105 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.856 0 N-CA-C 117.114 2.265 . . . . 0.0 117.114 -178.519 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.038 0 CA-C-O 115.656 -2.747 . . . . 0.0 118.826 177.642 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.933 1 CA-C-N 124.215 4.008 . . . . 0.0 111.364 179.752 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-O 115.629 -2.129 . . . . 0.0 106.27 177.546 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.302 -1.49 0 O-C-N 125.486 1.741 . . . . 0.0 107.644 -178.991 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.467 0 O-C-N 125.803 1.939 . . . . 0.0 111.496 -179.673 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 122.115 0.96 . . . . 0.0 110.723 179.489 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.248 1.01 0 N-CA-C 106.757 -1.571 . . . . 0.0 106.757 -179.877 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 1.989 0 O-C-N 126.069 2.106 . . . . 0.0 116.195 -179.81 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.809 0 CA-C-O 117.961 -1.019 . . . . 0.0 112.579 -178.286 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.485 1.932 0 N-CA-C 107.819 -2.112 . . . . 0.0 107.819 -178.434 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 125.381 2.515 . . . . 0.0 112.694 -177.883 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.832 0 CA-C-N 110.871 -2.877 . . . . 0.0 110.407 179.275 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -1.011 0 O-C-N 126.375 2.297 . . . . 0.0 105.438 176.616 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.441 0 N-CA-C 117.739 2.496 . . . . 0.0 117.739 -176.514 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 178.833 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 103.779 -2.674 . . . . 0.0 103.779 177.106 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 CA-C-N 112.024 -2.353 . . . . 0.0 108.018 -179.304 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.337 0 N-CA-C 118.54 2.176 . . . . 0.0 118.54 -178.218 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.688 0 O-C-N 121.421 -1.047 . . . . 0.0 112.23 -179.635 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.66 0 O-C-N 123.665 0.603 . . . . 0.0 112.614 -177.136 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 124.216 1.96 . . . . 0.0 110.074 -179.757 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.873 0 CA-C-N 113.473 -1.694 . . . . 0.0 108.377 -178.445 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 C--N 1.318 -0.432 0 CA-C-N 114.061 -1.427 . . . . 0.0 110.225 179.277 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 124.831 0.959 . . . . 0.0 109.969 179.944 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.981 0 CA-C-N 114.409 -1.269 . . . . 0.0 109.322 179.33 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.224 0 O-C-N 124.605 1.191 . . . . 0.0 110.217 178.879 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 CA--C 1.501 -0.843 0 N-CA-C 119.05 2.38 . . . . 0.0 119.05 -179.632 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.214 -0.815 0 O-C-N 120.833 -1.392 . . . . 0.0 109.124 179.457 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 178.602 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.896 0 O-C-N 125.685 1.865 . . . . 0.0 110.279 179.121 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.336 0.588 . . . . 0.0 111.897 -179.195 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 115.743 -2.075 . . . . 0.0 108.848 -177.947 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.293 -1.877 0 O-C-N 127.255 2.847 . . . . 0.0 110.41 178.702 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-O 117.671 -1.157 . . . . 0.0 109.581 -179.713 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 O-C-N 128.178 3.424 . . . . 0.0 112.821 -177.678 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.281 0 O-C-N 125.083 1.489 . . . . 0.0 111.699 -178.06 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 123.848 0.859 . . . . 0.0 110.178 178.288 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.941 0 N-CA-C 118.064 2.616 . . . . 0.0 118.064 175.672 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.032 0 C-N-CA 124.097 0.959 . . . . 0.0 109.037 177.551 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 127.417 2.948 . . . . 0.0 111.376 -177.893 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.41 0 C-N-CA 129.963 3.305 . . . . 0.0 108.995 178.291 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.923 0 O-C-N 126.779 2.55 . . . . 0.0 113.776 -178.122 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 -178.441 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 124.709 1.256 . . . . 0.0 110.002 178.499 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.303 -1.445 0 C-N-CA 124.051 0.94 . . . . 0.0 109.215 179.026 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.855 0 C-N-CA 123.463 0.705 . . . . 0.0 112.714 -178.491 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-O 117.017 -1.468 . . . . 0.0 110.967 -177.811 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.622 0 CA-C-O 116.796 -1.573 . . . . 0.0 110.724 -176.94 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.252 1.185 0 CA-C-N 119.531 1.06 . . . . 0.0 112.838 -178.878 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 124.984 1.314 . . . . 0.0 111.707 -178.479 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.674 0 O-C-N 125.044 1.465 . . . . 0.0 108.312 -179.616 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 126.581 2.426 . . . . 0.0 111.63 -178.941 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 0.996 0 C-N-CA 120.132 -0.627 . . . . 0.0 110.517 177.555 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.728 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -177.755 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.542 0 C-N-CA 125.678 1.591 . . . . 0.0 111.259 177.374 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.466 0.687 0 O-C-N 121.283 -0.886 . . . . 0.0 114.225 -179.437 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.625 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 179.246 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.32 -0.674 0 O-C-N 119.892 -1.755 . . . . 0.0 109.631 -179.322 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 116.37 1.989 . . . . 0.0 116.37 -177.007 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 125.267 1.605 . . . . 0.0 110.32 -176.657 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--O 1.212 -0.893 0 CA-C-N 112.524 -2.126 . . . . 0.0 108.282 176.007 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 N-CA-C 104.515 -2.402 . . . . 0.0 104.515 178.46 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 125.374 1.671 . . . . 0.0 108.276 -177.669 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.302 -1.325 0 O-C-N 125.918 2.011 . . . . 0.0 111.01 -175.569 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.437 0 O-C-N 126.291 2.732 . . . . 0.0 115.06 -176.547 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.505 0 O-C-N 120.436 -1.415 . . . . 0.0 113.859 177.673 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.385 0 N-CA-C 115.583 1.698 . . . . 0.0 115.583 -176.968 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--N 1.295 -1.798 0 CA-C-O 115.095 -2.383 . . . . 0.0 112.809 -178.741 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.259 1.595 0 CA-C-N 120.913 1.688 . . . . 0.0 114.858 -177.984 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.047 0 C-N-CA 127.04 2.136 . . . . 0.0 111.217 -179.584 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 O-C-N 126.255 2.222 . . . . 0.0 110.46 -179.738 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 125.352 1.461 . . . . 0.0 107.062 177.927 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.736 0 C-N-CA 126.635 1.974 . . . . 0.0 112.584 178.988 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.252 1.21 0 CA-C-N 113.194 -1.821 . . . . 0.0 111.441 -177.695 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.127 0 C-N-CA 123.875 0.87 . . . . 0.0 113.166 -179.107 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 N-CA-C 104.139 -2.541 . . . . 0.0 104.139 177.434 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 104.825 -2.287 . . . . 0.0 104.825 178.63 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 128.489 3.618 . . . . 0.0 117.015 -175.651 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.584 4.37 0 N-CA-C 105.28 -3.128 . . . . 0.0 105.28 177.082 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.392 0 O-C-N 128.504 3.12 . . . . 0.0 106.55 179.804 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.827 0 C-N-CA 118.94 -1.104 . . . . 0.0 112.689 -177.617 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.763 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 177.532 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.816 0 CA-C-O 122.47 1.128 . . . . 0.0 108.128 176.398 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.291 0 C-N-CA 121.518 1.479 . . . . 0.0 111.865 -179.704 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 177.016 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 105.308 -2.108 . . . . 0.0 105.308 177.504 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 122.808 1.289 . . . . 0.0 110.101 -176.974 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.25 1.141 0 CA-C-N 112.613 -2.085 . . . . 0.0 112.771 179.15 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.23 0 CA-C-N 118.163 0.981 . . . . 0.0 110.735 179.723 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.927 0 O-C-N 123.474 1.249 . . . . 0.0 111.637 177.279 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 103.168 -2.901 . . . . 0.0 103.168 178.476 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.306 -1.326 0 O-C-N 126.851 2.594 . . . . 0.0 112.256 -178.664 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.693 0 N-CA-C 107.558 -1.747 . . . . 0.0 107.558 179.572 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.942 0 O-C-N 128.117 3.386 . . . . 0.0 103.049 -179.936 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 2.0 0 CA-C-O 115.981 -1.961 . . . . 0.0 108.828 179.262 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.827 0 N-CA-C 104.068 -3.613 . . . . 0.0 104.068 -179.289 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.525 0 CA-C-O 115.702 -2.094 . . . . 0.0 109.476 -178.068 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.569 1.69 0 N-CA-C 103.747 -2.686 . . . . 0.0 103.747 -179.134 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.074 0 O-C-N 127.692 3.12 . . . . 0.0 113.513 -179.077 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 106.37 -1.715 . . . . 0.0 106.37 -177.998 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.957 0 O-C-N 126.27 2.231 . . . . 0.0 107.614 -179.376 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.081 -2.423 . . . . 0.0 110.271 -177.564 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--N 1.304 -1.382 1 O-C-N 115.349 -4.594 . . . . 0.0 100.631 -174.499 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.307 0 CA-C-O 115.204 -2.082 . . . . 0.0 112.1 -179.779 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.817 0 CA-C-N 120.716 1.598 . . . . 0.0 109.598 177.821 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.423 0 CA-C-N 112.809 -1.996 . . . . 0.0 110.637 178.27 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.285 0 O-C-N 120.973 -1.079 . . . . 0.0 110.447 178.547 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.141 0 O-C-N 125.835 1.959 . . . . 0.0 110.257 -178.387 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.066 0 O-C-N 127.031 2.707 . . . . 0.0 107.036 178.971 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.598 0 CA-C-O 122.27 1.033 . . . . 0.0 112.954 177.909 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.89 0 O-C-N 117.446 -3.284 . . . . 0.0 114.595 179.604 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.801 0 O-C-N 125.594 1.809 . . . . 0.0 108.14 179.514 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.565 1 O-C-N 129.177 4.048 . . . . 0.0 109.771 179.158 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 120.019 -1.676 . . . . 0.0 111.873 179.053 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 125.143 1.377 . . . . 0.0 112.742 178.732 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.048 0 C-N-CA 128.012 2.72 . . . . 0.0 114.352 -179.34 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.246 0 C-N-CA 128.227 2.611 . . . . 0.0 111.433 -178.295 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 C-N-CA 117.586 -1.646 . . . . 0.0 107.4 179.541 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.106 0 CA-C-O 117.283 -1.341 . . . . 0.0 109.011 -179.661 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.314 0 C-N-CA 122.855 2.37 . . . . 0.0 111.762 179.305 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.021 0 O-C-N 118.643 -2.535 . . . . 0.0 115.679 -177.664 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.056 0 C-N-CA 126.58 1.952 . . . . 0.0 110.944 179.218 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.506 -0.884 0 C-N-CA 123.458 2.772 . . . . 0.0 115.482 178.778 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-N 121.28 1.855 . . . . 0.0 113.464 178.006 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 124.969 1.308 . . . . 0.0 107.989 -179.955 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.244 0.811 0 C-N-CA 119.05 -1.06 . . . . 0.0 109.764 179.128 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.6 -0.688 . . . . 0.0 109.343 179.1 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 114.178 -1.373 . . . . 0.0 109.749 179.828 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-N 119.572 1.078 . . . . 0.0 111.916 -177.963 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-O 117.057 -1.449 . . . . 0.0 111.825 -177.98 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 115.048 1.499 . . . . 0.0 115.048 -178.903 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.459 0 CA-C-N 114.576 -1.193 . . . . 0.0 109.164 179.703 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-O 124.814 2.245 . . . . 0.0 109.453 178.329 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.499 -1.017 0 CA-C-N 112.76 -2.018 . . . . 0.0 111.322 178.754 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.74 0 CA-C-N 121.076 1.762 . . . . 0.0 112.746 179.858 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.291 0 CA-C-O 118.51 -0.757 . . . . 0.0 112.301 -176.316 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 O-C-N 124.043 0.84 . . . . 0.0 109.074 -179.314 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-O 115.229 -2.32 . . . . 0.0 110.9 -178.116 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.202 0 O-C-N 127.552 3.032 . . . . 0.0 111.055 178.972 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.792 0 C-N-CA 127.367 2.267 . . . . 0.0 113.791 -177.163 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 125.973 2.046 . . . . 0.0 112.188 -179.919 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.361 0 CA-C-N 121.33 1.877 . . . . 0.0 114.812 179.866 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.565 0 C-N-CA 124.812 1.245 . . . . 0.0 111.417 179.519 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 178.907 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.307 -1.247 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 178.222 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 O-C-N 124.781 1.301 . . . . 0.0 110.05 -178.656 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 113.627 -1.624 . . . . 0.0 111.048 178.316 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.513 0 C-N-CA 127.122 2.169 . . . . 0.0 112.518 -178.521 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 113.702 -1.59 . . . . 0.0 111.954 179.774 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-O 116.746 -1.597 . . . . 0.0 111.658 -178.264 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 126.51 2.381 . . . . 0.0 107.498 178.934 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 C--N 1.313 -1.019 0 C-N-CA 126.399 1.88 . . . . 0.0 113.125 179.254 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.591 -179.176 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.193 0 O-C-N 124.454 1.096 . . . . 0.0 108.246 178.144 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 116.61 -1.662 . . . . 0.0 112.116 179.066 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.512 0 N-CA-C 115.942 1.83 . . . . 0.0 115.942 -179.772 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.673 0 O-C-N 124.444 1.09 . . . . 0.0 111.075 -177.951 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.309 -1.165 0 O-C-N 125.458 1.724 . . . . 0.0 111.39 -178.662 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.09 0 C-N-CA 127.258 2.223 . . . . 0.0 107.457 179.103 . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 500' ' ' MXT . . . . . 0.9 ' O11' H231 ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 600' ' ' MXT . . . . . 0.565 H231 ' O12' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.441 ' C ' H121 ' A' ' 500' ' ' MXT . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 1.054 ' H ' H122 ' A' ' 500' ' ' MXT . 2.0 m -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.427 ' H ' H112 ' A' ' 500' ' ' MXT . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.296 0 O-C-N 125.664 1.852 . . . . 0.0 106.872 169.168 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.721 1 O-C-N 129.21 4.268 . . . . 0.0 107.989 -175.639 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.899 0 CA-C-N 121.016 1.734 . . . . 0.0 112.59 -178.003 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.186 0 CA-C-N 114.25 -1.341 . . . . 0.0 110.918 -177.384 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.194 0 C-N-CA 127.037 2.135 . . . . 0.0 110.27 -177.211 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.256 1.429 0 O-C-N 120.88 -1.138 . . . . 0.0 109.86 179.159 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.561 0 N-CA-C 105.963 -1.865 . . . . 0.0 105.963 -177.256 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 127.124 2.765 . . . . 0.0 107.847 179.585 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.756 0 CA-C-O 115.444 -2.217 . . . . 0.0 106.465 178.363 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 C--N 1.277 -2.55 1 O-C-N 130.667 4.979 . . . . 0.0 106.317 177.377 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.128 0 CA-C-O 113.743 -3.027 . . . . 0.0 105.879 -179.815 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-N 121.143 1.792 . . . . 0.0 110.034 -177.791 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 125.864 1.978 . . . . 0.0 105.799 -176.586 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.376 0 O-C-N 127.475 2.984 . . . . 0.0 112.731 -176.344 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.267 2.003 0 O-C-N 127.237 2.836 . . . . 0.0 112.207 177.663 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.314 -0.936 0 O-C-N 119.049 -2.282 . . . . 0.0 111.833 -179.597 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--O 1.225 -0.211 0 O-C-N 126.634 2.459 . . . . 0.0 109.708 -174.847 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.323 -0.768 0 C-N-CA 124.68 3.587 . . . . 0.0 111.918 179.724 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.847 0 CA-C-N 111.741 -2.481 . . . . 0.0 106.811 179.124 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.315 -1.231 0 O-C-N 127.506 3.371 . . . . 0.0 107.897 179.0 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.514 0 CA-C-O 116.15 -1.688 . . . . 0.0 108.349 178.821 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.608 0 O-C-N 127.076 2.735 . . . . 0.0 112.129 179.995 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -2.001 0 C-N-CA 126.727 2.011 . . . . 0.0 114.879 -174.482 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.693 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 175.011 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 124.872 1.357 . . . . 0.0 113.588 -175.758 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.257 1.45 0 CA-C-O 117.432 -1.271 . . . . 0.0 112.775 -179.398 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.295 0 CA-C-N 121.744 2.066 . . . . 0.0 114.917 179.609 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.311 -1.437 0 C-N-CA 122.129 1.886 . . . . 0.0 113.297 178.117 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.885 0 C-N-CA 129.785 3.234 . . . . 0.0 112.259 178.937 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.039 0 O-C-N 119.416 -2.053 . . . . 0.0 109.493 178.011 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.347 0 CA-C-O 115.545 -2.169 . . . . 0.0 109.216 179.719 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 127.428 2.955 . . . . 0.0 109.412 179.632 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.253 1.277 0 O-C-N 120.305 -1.497 . . . . 0.0 112.834 177.198 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 122.048 0.927 . . . . 0.0 113.377 179.044 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.306 -1.287 0 C-N-CA 126.5 1.92 . . . . 0.0 109.267 179.718 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 125.07 1.481 . . . . 0.0 110.276 175.838 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.161 0 C-N-CA 127.049 2.14 . . . . 0.0 114.618 178.793 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.01 0 CA-C-O 117.075 -1.958 . . . . 0.0 112.372 178.463 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 118.15 0.975 . . . . 0.0 108.471 179.284 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 176.013 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.944 0 C-N-CA 123.928 0.891 . . . . 0.0 112.916 -179.489 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.474 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -175.567 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.097 0 C-N-CA 124.999 1.319 . . . . 0.0 108.103 175.067 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 177.266 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.961 0 CA-C-N 114.299 -1.319 . . . . 0.0 110.096 -179.881 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 115.934 -1.984 . . . . 0.0 112.27 178.85 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.565 0 C-N-CA 126.869 2.067 . . . . 0.0 116.516 -174.833 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.587 0 CA-C-O 122.74 1.257 . . . . 0.0 112.294 -178.891 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 122.428 2.085 . . . . 0.0 115.096 -179.563 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 177.685 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.414 0 N-CA-C 115.189 1.551 . . . . 0.0 115.189 178.296 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.497 -1.063 0 O-C-N 118.322 -2.736 . . . . 0.0 114.611 -179.041 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.299 0 N-CA-C 115.974 1.842 . . . . 0.0 115.974 179.681 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.053 0 CA-C-N 120.29 1.139 . . . . 0.0 114.844 -179.593 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.314 1.046 . . . . 0.0 112.052 179.809 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 O-C-N 125.102 1.501 . . . . 0.0 111.415 -179.697 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.255 1.353 0 N-CA-C 116.891 2.182 . . . . 0.0 116.891 179.184 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 127.633 2.373 . . . . 0.0 115.554 -178.068 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.839 0 N-CA-C 117.14 2.274 . . . . 0.0 117.14 -178.531 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.088 0 CA-C-O 115.738 -2.701 . . . . 0.0 118.868 177.685 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.292 -1.909 0 CA-C-N 124.156 3.978 . . . . 0.0 111.421 179.697 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-O 115.643 -2.122 . . . . 0.0 106.278 177.525 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.517 0 O-C-N 125.51 1.756 . . . . 0.0 107.617 -178.944 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.484 0 O-C-N 125.717 1.885 . . . . 0.0 111.493 -179.637 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-O 122.085 0.945 . . . . 0.0 110.73 179.438 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.248 1.009 0 N-CA-C 106.746 -1.576 . . . . 0.0 106.746 -179.89 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 1.976 0 O-C-N 126.035 2.085 . . . . 0.0 116.214 -179.808 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.264 1.83 0 CA-C-O 117.887 -1.054 . . . . 0.0 112.586 -178.223 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 1.99 0 N-CA-C 107.763 -2.135 . . . . 0.0 107.763 -178.412 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 125.342 2.496 . . . . 0.0 112.685 -177.869 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.858 0 CA-C-N 110.861 -2.881 . . . . 0.0 110.411 179.201 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 126.396 2.31 . . . . 0.0 105.383 176.63 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.36 0 N-CA-C 117.812 2.523 . . . . 0.0 117.812 -176.586 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 178.854 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 103.861 -2.644 . . . . 0.0 103.861 177.054 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 CA-C-N 112.021 -2.354 . . . . 0.0 108.018 -179.288 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.317 0 N-CA-C 118.59 2.196 . . . . 0.0 118.59 -178.258 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.243 0.716 0 O-C-N 121.459 -1.024 . . . . 0.0 112.215 -179.657 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.664 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -177.209 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.867 0 CA-C-O 124.242 1.973 . . . . 0.0 110.039 -179.771 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.87 0 CA-C-N 113.435 -1.711 . . . . 0.0 108.375 -178.365 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.463 0.473 0 CA-C-N 114.036 -1.438 . . . . 0.0 110.211 179.3 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 124.787 0.934 . . . . 0.0 109.992 179.919 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 1.002 0 CA-C-N 114.423 -1.262 . . . . 0.0 109.354 179.31 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.222 0 O-C-N 124.553 1.158 . . . . 0.0 110.169 178.869 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 CA--C 1.5 -0.859 0 N-CA-C 119.067 2.387 . . . . 0.0 119.067 -179.692 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.214 -0.805 0 O-C-N 120.802 -1.41 . . . . 0.0 109.058 179.495 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.297 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 178.646 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.874 0 O-C-N 125.697 1.873 . . . . 0.0 110.241 179.15 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.316 0.579 . . . . 0.0 111.902 -179.141 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 115.795 -2.05 . . . . 0.0 108.824 -177.933 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.293 -1.873 0 O-C-N 127.215 2.822 . . . . 0.0 110.391 178.735 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-O 117.672 -1.156 . . . . 0.0 109.604 -179.742 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 O-C-N 128.123 3.39 . . . . 0.0 112.805 -177.67 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.272 0 O-C-N 125.134 1.521 . . . . 0.0 111.722 -178.098 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 123.849 0.86 . . . . 0.0 110.229 178.265 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.292 -1.926 0 N-CA-C 118.094 2.627 . . . . 0.0 118.094 175.743 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.045 0 C-N-CA 124.071 0.948 . . . . 0.0 109.086 177.497 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 127.417 2.948 . . . . 0.0 111.327 -177.949 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 130.027 3.331 . . . . 0.0 108.973 178.288 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.971 0 O-C-N 126.779 2.55 . . . . 0.0 113.74 -178.143 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 115.248 1.573 . . . . 0.0 115.248 -178.398 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 124.739 1.274 . . . . 0.0 109.94 178.548 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.303 -1.417 0 C-N-CA 124.045 0.938 . . . . 0.0 109.184 179.031 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.876 0 C-N-CA 123.516 0.726 . . . . 0.0 112.73 -178.477 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-O 117.018 -1.468 . . . . 0.0 111.017 -177.845 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.622 0 CA-C-O 116.797 -1.573 . . . . 0.0 110.689 -176.964 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.17 0 CA-C-N 119.564 1.075 . . . . 0.0 112.834 -178.882 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 124.909 1.284 . . . . 0.0 111.717 -178.473 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 125.054 1.471 . . . . 0.0 108.278 -179.57 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 126.563 2.414 . . . . 0.0 111.571 -178.93 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 0.976 0 C-N-CA 120.156 -0.618 . . . . 0.0 110.494 177.604 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 -177.736 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.532 0 C-N-CA 125.659 1.584 . . . . 0.0 111.238 177.428 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 C--O 1.243 0.702 0 O-C-N 121.272 -0.892 . . . . 0.0 114.285 -179.39 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.51 -0.581 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 179.238 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 119.859 -1.775 . . . . 0.0 109.622 -179.346 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 116.405 2.002 . . . . 0.0 116.405 -177.04 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 125.221 1.576 . . . . 0.0 110.326 -176.641 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 112.54 -2.118 . . . . 0.0 108.303 175.997 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 N-CA-C 104.524 -2.399 . . . . 0.0 104.524 178.518 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 125.371 1.669 . . . . 0.0 108.275 -177.65 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.302 -1.31 0 O-C-N 125.89 1.994 . . . . 0.0 110.973 -175.527 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.461 0 O-C-N 126.249 2.71 . . . . 0.0 115.037 -176.519 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.522 0 O-C-N 120.438 -1.414 . . . . 0.0 113.796 177.707 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.375 0 N-CA-C 115.599 1.703 . . . . 0.0 115.599 -176.969 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.264 1.829 0 CA-C-O 115.103 -2.379 . . . . 0.0 112.769 -178.716 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.259 1.599 0 CA-C-N 120.94 1.7 . . . . 0.0 114.864 -177.99 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.035 0 C-N-CA 126.987 2.115 . . . . 0.0 111.196 -179.569 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 O-C-N 126.195 2.184 . . . . 0.0 110.486 -179.744 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 125.361 1.464 . . . . 0.0 107.076 177.874 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.718 0 C-N-CA 126.615 1.966 . . . . 0.0 112.602 179.006 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.15 0 CA-C-N 113.176 -1.829 . . . . 0.0 111.419 -177.683 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.309 -1.162 0 C-N-CA 123.861 0.864 . . . . 0.0 113.193 -179.062 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 104.17 -2.53 . . . . 0.0 104.17 177.435 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 104.814 -2.291 . . . . 0.0 104.814 178.65 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 128.537 3.648 . . . . 0.0 116.933 -175.605 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.303 0 N-CA-C 105.36 -3.096 . . . . 0.0 105.36 177.025 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.273 2.304 0 O-C-N 128.515 3.127 . . . . 0.0 106.486 179.83 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.843 0 C-N-CA 118.94 -1.104 . . . . 0.0 112.695 -177.608 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 177.539 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.823 0 CA-C-O 122.468 1.127 . . . . 0.0 108.101 176.422 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 121.526 1.484 . . . . 0.0 111.842 -179.738 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 177.001 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 105.331 -2.1 . . . . 0.0 105.331 177.542 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 122.804 1.288 . . . . 0.0 110.126 -176.902 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.201 0 CA-C-N 112.651 -2.068 . . . . 0.0 112.732 179.601 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.223 0 CA-C-N 118.232 1.016 . . . . 0.0 110.73 179.793 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.955 0 O-C-N 123.514 1.271 . . . . 0.0 111.692 177.059 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 103.149 -2.908 . . . . 0.0 103.149 178.607 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.306 -1.309 0 O-C-N 126.846 2.591 . . . . 0.0 112.185 -178.703 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.691 0 N-CA-C 107.549 -1.751 . . . . 0.0 107.549 -179.878 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.944 0 O-C-N 128.094 3.371 . . . . 0.0 102.956 -179.95 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 2.008 0 CA-C-O 115.943 -1.98 . . . . 0.0 108.811 -179.593 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 C--N 1.293 -1.826 0 N-CA-C 104.101 -3.599 . . . . 0.0 104.101 -179.491 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.528 0 CA-C-O 115.7 -2.095 . . . . 0.0 109.522 -177.782 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.716 0 N-CA-C 103.73 -2.693 . . . . 0.0 103.73 -179.776 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.077 0 O-C-N 127.715 3.134 . . . . 0.0 113.533 -178.295 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 106.32 -1.733 . . . . 0.0 106.32 -178.033 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.947 0 O-C-N 126.306 2.254 . . . . 0.0 107.639 -179.266 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.343 -2.269 . . . . 0.0 110.271 -177.31 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.253 1.275 0 N-CA-C 100.611 -3.848 . . . . 0.0 100.611 -177.764 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.322 0 CA-C-O 115.227 -2.072 . . . . 0.0 112.077 179.681 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.272 -2.795 0 CA-C-N 120.739 1.608 . . . . 0.0 109.562 177.832 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.436 0 CA-C-N 112.822 -1.99 . . . . 0.0 110.591 178.334 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.432 -1.333 0 O-C-N 120.925 -1.109 . . . . 0.0 110.406 178.535 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.17 0 O-C-N 125.794 1.934 . . . . 0.0 110.277 -178.335 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.074 0 O-C-N 127.074 2.734 . . . . 0.0 107.068 178.92 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.606 0 CA-C-O 122.224 1.011 . . . . 0.0 112.902 177.909 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.878 0 O-C-N 117.448 -3.282 . . . . 0.0 114.546 179.725 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.791 0 O-C-N 125.641 1.838 . . . . 0.0 108.125 179.511 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.299 -1.606 1 O-C-N 129.242 4.089 . . . . 0.0 109.77 179.163 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 120.004 -1.685 . . . . 0.0 111.863 179.086 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.529 0 C-N-CA 125.127 1.371 . . . . 0.0 112.767 178.752 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.062 0 C-N-CA 127.982 2.706 . . . . 0.0 114.323 -178.833 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.289 0 C-N-CA 128.275 2.63 . . . . 0.0 111.556 -178.903 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 C-N-CA 117.585 -1.646 . . . . 0.0 107.401 -179.604 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.289 -2.057 0 CA-C-O 117.275 -1.345 . . . . 0.0 109.026 -179.805 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 N--CA 1.49 1.322 0 C-N-CA 122.862 2.374 . . . . 0.0 111.735 179.74 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.014 0 O-C-N 118.636 -2.54 . . . . 0.0 115.706 -176.318 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.313 -1.018 0 C-N-CA 126.614 1.966 . . . . 0.0 110.916 179.335 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.506 -0.919 0 C-N-CA 123.448 2.766 . . . . 0.0 115.48 -178.46 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.701 0 CA-C-N 121.299 1.863 . . . . 0.0 113.476 177.971 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.799 0 C-N-CA 124.954 1.301 . . . . 0.0 108.063 179.957 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.863 0 C-N-CA 119.026 -1.069 . . . . 0.0 109.76 179.104 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.589 -0.694 . . . . 0.0 109.293 179.113 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 114.211 -1.359 . . . . 0.0 109.715 179.875 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-N 119.578 1.081 . . . . 0.0 111.928 -177.958 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-O 117.039 -1.458 . . . . 0.0 111.858 -178.0 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 115.033 1.494 . . . . 0.0 115.033 -178.96 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.482 0 CA-C-N 114.547 -1.206 . . . . 0.0 109.144 179.806 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-O 124.889 2.281 . . . . 0.0 109.456 178.323 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.048 0 CA-C-N 112.703 -2.044 . . . . 0.0 111.32 178.756 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.73 0 CA-C-N 121.105 1.775 . . . . 0.0 112.741 179.841 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.295 0 CA-C-O 118.458 -0.782 . . . . 0.0 112.316 -176.306 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 O-C-N 124.096 0.873 . . . . 0.0 109.117 -179.332 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-O 115.234 -2.317 . . . . 0.0 110.893 -178.128 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.222 0 O-C-N 127.556 3.035 . . . . 0.0 111.035 179.005 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.784 0 C-N-CA 127.374 2.27 . . . . 0.0 113.722 -177.118 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 125.997 2.061 . . . . 0.0 112.15 -179.859 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.378 0 CA-C-N 121.329 1.877 . . . . 0.0 114.798 179.813 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.572 0 C-N-CA 124.801 1.241 . . . . 0.0 111.364 179.588 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 178.945 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.307 -1.246 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 178.274 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 O-C-N 124.811 1.319 . . . . 0.0 110.046 -178.696 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 113.65 -1.614 . . . . 0.0 111.052 178.316 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.501 0 C-N-CA 127.105 2.162 . . . . 0.0 112.524 -178.505 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 113.716 -1.584 . . . . 0.0 111.97 179.762 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 116.706 -1.616 . . . . 0.0 111.668 -178.319 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 126.54 2.4 . . . . 0.0 107.503 178.931 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.051 0 C-N-CA 126.401 1.88 . . . . 0.0 113.139 179.26 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.611 -179.214 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.308 -1.227 0 O-C-N 124.466 1.104 . . . . 0.0 108.215 178.179 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 116.567 -1.682 . . . . 0.0 112.093 179.075 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.257 1.493 0 N-CA-C 115.911 1.819 . . . . 0.0 115.911 -179.759 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 O-C-N 124.47 1.106 . . . . 0.0 111.097 -177.95 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.137 0 O-C-N 125.528 1.767 . . . . 0.0 111.375 -178.678 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.076 0 C-N-CA 127.277 2.231 . . . . 0.0 107.454 179.098 . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 500' ' ' MXT . . . . . 1.054 H122 ' H ' ' A' ' 41' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 600' ' ' MXT . . . . . 0.815 H231 ' O11' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.738 ' HA ' H121 ' A' ' 500' ' ' MXT . 31.6 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 1.056 ' H ' H122 ' A' ' 500' ' ' MXT . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.298 0 O-C-N 125.664 1.852 . . . . 0.0 106.878 167.809 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.73 1 O-C-N 129.214 4.271 . . . . 0.0 107.967 -172.867 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.918 0 CA-C-N 121.003 1.728 . . . . 0.0 112.606 -178.551 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.206 0 CA-C-N 114.224 -1.353 . . . . 0.0 110.944 -177.255 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.187 0 C-N-CA 126.964 2.105 . . . . 0.0 110.213 -176.268 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.256 1.446 0 O-C-N 120.91 -1.119 . . . . 0.0 109.814 179.765 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.603 0 N-CA-C 105.963 -1.866 . . . . 0.0 105.963 -176.964 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 127.185 2.803 . . . . 0.0 107.86 -179.365 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.57 1.736 0 CA-C-O 115.435 -2.221 . . . . 0.0 106.457 177.195 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.566 1 O-C-N 130.653 4.971 . . . . 0.0 106.328 177.858 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.128 0 CA-C-O 113.784 -3.008 . . . . 0.0 105.819 -179.789 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-N 121.105 1.775 . . . . 0.0 110.012 -177.755 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.802 0 O-C-N 125.919 2.012 . . . . 0.0 105.785 -176.607 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.381 0 O-C-N 127.461 2.975 . . . . 0.0 112.731 -176.366 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.955 0 O-C-N 127.252 2.845 . . . . 0.0 112.295 177.622 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.314 -0.936 0 O-C-N 119.111 -2.243 . . . . 0.0 111.95 -179.681 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.331 -0.202 0 O-C-N 126.637 2.461 . . . . 0.0 109.72 -174.883 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.73 0 C-N-CA 124.649 3.566 . . . . 0.0 111.936 179.765 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.475 0.823 0 CA-C-N 111.779 -2.464 . . . . 0.0 106.736 179.134 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.253 0 O-C-N 127.543 3.391 . . . . 0.0 107.89 178.977 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.514 0 C-N-CA 121.845 1.697 . . . . 0.0 108.278 178.856 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.426 -1.632 0 O-C-N 127.029 2.705 . . . . 0.0 112.171 179.941 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.996 0 C-N-CA 126.744 2.018 . . . . 0.0 114.935 -174.48 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.57 1.713 0 N-CA-C 107.683 -1.228 . . . . 0.0 107.683 175.054 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 124.893 1.371 . . . . 0.0 113.62 -175.749 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.435 0 CA-C-O 117.42 -1.276 . . . . 0.0 112.791 -179.453 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.253 1.279 0 CA-C-N 121.725 2.057 . . . . 0.0 114.967 179.545 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.452 0 C-N-CA 122.143 1.896 . . . . 0.0 113.338 178.073 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.895 0 C-N-CA 129.772 3.229 . . . . 0.0 112.268 178.887 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.04 0 O-C-N 119.398 -2.064 . . . . 0.0 109.505 177.989 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.559 1.324 0 CA-C-O 115.611 -2.138 . . . . 0.0 109.242 179.742 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 127.349 2.905 . . . . 0.0 109.383 179.599 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.219 0 O-C-N 120.315 -1.491 . . . . 0.0 112.899 177.154 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-O 122.053 0.93 . . . . 0.0 113.377 179.022 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.269 0 C-N-CA 126.515 1.926 . . . . 0.0 109.254 179.769 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 125.13 1.519 . . . . 0.0 110.235 175.892 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.143 0 C-N-CA 127.051 2.14 . . . . 0.0 114.599 178.798 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 1.999 0 CA-C-O 117.079 -1.956 . . . . 0.0 112.323 178.435 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-N 118.161 0.98 . . . . 0.0 108.49 179.259 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 107.227 -1.398 . . . . 0.0 107.227 176.02 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.93 0 C-N-CA 123.877 0.871 . . . . 0.0 112.867 -179.518 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.467 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 -175.565 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.31 -1.126 0 C-N-CA 125.057 1.343 . . . . 0.0 108.1 175.096 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.276 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.931 0 CA-C-N 114.318 -1.31 . . . . 0.0 110.05 -179.897 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-O 115.932 -1.985 . . . . 0.0 112.281 178.783 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.276 -2.588 0 C-N-CA 126.885 2.074 . . . . 0.0 116.558 -174.913 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.609 0 CA-C-O 122.765 1.269 . . . . 0.0 112.333 -178.943 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 122.372 2.048 . . . . 0.0 115.11 -179.523 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 107.459 -1.312 . . . . 0.0 107.459 177.64 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.257 1.468 0 N-CA-C 115.156 1.539 . . . . 0.0 115.156 178.34 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.497 -1.086 0 O-C-N 118.362 -2.711 . . . . 0.0 114.62 -179.06 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.314 0 N-CA-C 115.954 1.835 . . . . 0.0 115.954 179.687 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.052 0 CA-C-N 120.246 1.123 . . . . 0.0 114.858 -179.594 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.294 1.038 . . . . 0.0 112.028 179.892 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 O-C-N 125.102 1.501 . . . . 0.0 111.433 -179.71 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.315 0 N-CA-C 116.934 2.198 . . . . 0.0 116.934 179.1 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 127.608 2.363 . . . . 0.0 115.576 -178.071 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.839 0 N-CA-C 117.129 2.27 . . . . 0.0 117.129 -178.542 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.035 0 CA-C-O 115.684 -2.731 . . . . 0.0 118.826 177.668 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.961 0 CA-C-N 124.194 3.997 . . . . 0.0 111.369 179.718 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.652 -2.118 . . . . 0.0 106.259 177.524 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.302 -1.494 0 O-C-N 125.459 1.724 . . . . 0.0 107.616 -178.948 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.256 1.44 0 O-C-N 125.762 1.914 . . . . 0.0 111.452 -179.625 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-O 122.104 0.954 . . . . 0.0 110.703 179.453 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.055 0 N-CA-C 106.723 -1.584 . . . . 0.0 106.723 -179.885 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 2.002 0 O-C-N 126.038 2.086 . . . . 0.0 116.237 -179.855 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.799 0 CA-C-O 117.961 -1.019 . . . . 0.0 112.589 -178.235 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.485 1.966 0 N-CA-C 107.829 -2.108 . . . . 0.0 107.829 -178.386 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 125.303 2.478 . . . . 0.0 112.68 -177.801 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.246 0.88 0 CA-C-N 110.923 -2.853 . . . . 0.0 110.403 179.239 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -0.993 0 O-C-N 126.355 2.284 . . . . 0.0 105.422 176.613 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.392 0 N-CA-C 117.771 2.508 . . . . 0.0 117.771 -176.529 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 178.806 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 103.853 -2.647 . . . . 0.0 103.853 177.035 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 CA-C-N 112.0 -2.364 . . . . 0.0 108.002 -179.269 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.3 0 N-CA-C 118.524 2.17 . . . . 0.0 118.524 -178.209 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.71 0 O-C-N 121.438 -1.036 . . . . 0.0 112.245 -179.678 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.662 0 O-C-N 123.69 0.619 . . . . 0.0 112.667 -177.227 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.87 0 CA-C-O 124.252 1.977 . . . . 0.0 110.039 -179.775 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.89 0 CA-C-N 113.402 -1.726 . . . . 0.0 108.45 -178.449 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.463 0.448 0 CA-C-N 113.991 -1.459 . . . . 0.0 110.199 179.291 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 124.865 0.98 . . . . 0.0 110.037 179.903 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.247 0.971 0 CA-C-N 114.35 -1.295 . . . . 0.0 109.341 179.305 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.197 0 O-C-N 124.52 1.138 . . . . 0.0 110.217 178.871 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 CA--C 1.501 -0.828 0 N-CA-C 119.017 2.367 . . . . 0.0 119.017 -179.635 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.817 0 O-C-N 120.886 -1.361 . . . . 0.0 109.06 179.484 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 178.695 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.913 0 O-C-N 125.736 1.897 . . . . 0.0 110.204 179.186 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.339 0.59 . . . . 0.0 111.886 -179.185 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 115.707 -2.092 . . . . 0.0 108.787 -177.904 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.899 0 O-C-N 127.251 2.845 . . . . 0.0 110.343 178.718 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 117.671 -1.157 . . . . 0.0 109.605 -179.666 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 O-C-N 128.149 3.405 . . . . 0.0 112.796 -177.679 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.258 0 O-C-N 125.141 1.525 . . . . 0.0 111.74 -178.08 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 123.888 0.875 . . . . 0.0 110.151 178.303 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.958 0 N-CA-C 118.063 2.616 . . . . 0.0 118.063 175.69 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.053 0 C-N-CA 124.118 0.967 . . . . 0.0 109.074 177.568 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 127.387 2.929 . . . . 0.0 111.439 -177.978 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.378 0 C-N-CA 129.977 3.311 . . . . 0.0 108.999 178.305 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.246 0.909 0 O-C-N 126.734 2.521 . . . . 0.0 113.735 -178.114 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 115.276 1.584 . . . . 0.0 115.276 -178.422 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 124.728 1.267 . . . . 0.0 109.957 178.522 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.388 0 C-N-CA 123.998 0.919 . . . . 0.0 109.13 179.066 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.864 0 C-N-CA 123.498 0.719 . . . . 0.0 112.706 -178.455 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-O 117.011 -1.471 . . . . 0.0 111.021 -177.837 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 CA-C-O 116.748 -1.596 . . . . 0.0 110.665 -176.98 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.252 1.193 0 CA-C-N 119.578 1.081 . . . . 0.0 112.801 -178.813 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 124.948 1.299 . . . . 0.0 111.695 -178.467 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 125.028 1.455 . . . . 0.0 108.32 -179.6 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 126.557 2.411 . . . . 0.0 111.592 -178.972 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.249 1.055 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.53 177.564 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.734 0 N-CA-C 114.304 1.224 . . . . 0.0 114.304 -177.756 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 125.69 1.596 . . . . 0.0 111.274 177.37 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.466 0.676 0 O-C-N 121.306 -0.872 . . . . 0.0 114.218 -179.472 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.626 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 179.249 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 119.843 -1.786 . . . . 0.0 109.618 -179.325 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.9 0 N-CA-C 116.368 1.988 . . . . 0.0 116.368 -176.974 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 125.278 1.611 . . . . 0.0 110.329 -176.67 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 112.529 -2.123 . . . . 0.0 108.33 176.071 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 N-CA-C 104.5 -2.407 . . . . 0.0 104.5 178.481 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 125.42 1.7 . . . . 0.0 108.246 -177.663 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.274 0 O-C-N 125.902 2.001 . . . . 0.0 110.968 -175.545 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.474 -2.477 0 O-C-N 126.335 2.755 . . . . 0.0 115.06 -176.53 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.257 1.477 0 O-C-N 120.417 -1.427 . . . . 0.0 113.842 177.702 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.37 0 N-CA-C 115.613 1.709 . . . . 0.0 115.613 -177.007 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--N 1.294 -1.807 0 CA-C-O 115.094 -2.384 . . . . 0.0 112.825 -178.702 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.608 0 CA-C-N 120.889 1.677 . . . . 0.0 114.866 -178.057 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.026 0 C-N-CA 127.023 2.129 . . . . 0.0 111.249 -179.585 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 126.262 2.226 . . . . 0.0 110.462 -179.783 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 125.35 1.46 . . . . 0.0 107.105 177.909 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.756 0 C-N-CA 126.552 1.941 . . . . 0.0 112.591 178.988 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.181 0 CA-C-N 113.225 -1.807 . . . . 0.0 111.388 -177.657 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.309 -1.174 0 C-N-CA 123.831 0.853 . . . . 0.0 113.171 -179.087 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 104.181 -2.525 . . . . 0.0 104.181 177.434 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 104.809 -2.293 . . . . 0.0 104.809 178.668 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 128.513 3.633 . . . . 0.0 116.962 -175.623 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.312 0 N-CA-C 105.331 -3.108 . . . . 0.0 105.331 177.072 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.273 2.342 0 O-C-N 128.527 3.133 . . . . 0.0 106.529 179.739 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.827 0 C-N-CA 118.913 -1.115 . . . . 0.0 112.673 -177.625 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.746 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 177.523 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.244 0.81 0 CA-C-O 122.453 1.12 . . . . 0.0 108.089 176.459 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 121.459 1.439 . . . . 0.0 111.922 -179.721 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 177.01 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 105.357 -2.09 . . . . 0.0 105.357 177.479 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 122.814 1.292 . . . . 0.0 110.134 -176.886 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.184 0 CA-C-N 112.712 -2.04 . . . . 0.0 112.81 -179.694 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.2 0 CA-C-N 118.164 0.982 . . . . 0.0 110.743 179.971 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.954 0 O-C-N 123.493 1.259 . . . . 0.0 111.659 177.329 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 103.183 -2.895 . . . . 0.0 103.183 178.421 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.328 0 O-C-N 126.85 2.594 . . . . 0.0 112.24 -178.51 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.44 -1.647 0 N-CA-C 107.572 -1.742 . . . . 0.0 107.572 -179.843 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.94 0 O-C-N 128.131 3.394 . . . . 0.0 102.991 179.647 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.266 1.971 0 CA-C-O 116.006 -1.95 . . . . 0.0 108.841 -179.617 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.544 1.85 0 N-CA-C 104.085 -3.606 . . . . 0.0 104.085 179.102 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.523 0 CA-C-O 115.672 -2.109 . . . . 0.0 109.482 -177.628 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.74 0 N-CA-C 103.724 -2.695 . . . . 0.0 103.724 -179.988 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.072 0 O-C-N 127.8 3.187 . . . . 0.0 113.523 -178.684 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 -177.183 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.926 0 O-C-N 126.216 2.198 . . . . 0.0 107.647 179.933 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 118.483 -2.775 . . . . 0.0 110.271 -176.926 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.253 1.276 1 O-C-N 114.498 -5.126 . . . . 0.0 100.65 -173.759 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.307 0 CA-C-O 115.216 -2.076 . . . . 0.0 112.126 177.894 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.272 -2.796 0 CA-C-N 120.704 1.593 . . . . 0.0 109.598 177.778 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.428 0 CA-C-N 112.837 -1.983 . . . . 0.0 110.588 178.303 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.313 0 O-C-N 120.946 -1.096 . . . . 0.0 110.42 178.573 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.161 0 O-C-N 125.773 1.92 . . . . 0.0 110.274 -178.354 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.289 -2.029 0 O-C-N 127.02 2.7 . . . . 0.0 107.06 178.97 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.634 0 CA-C-O 122.21 1.005 . . . . 0.0 112.914 177.899 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.44 -0.931 0 O-C-N 117.442 -3.286 . . . . 0.0 114.641 179.653 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.814 0 O-C-N 125.593 1.808 . . . . 0.0 108.136 179.477 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.299 -1.591 1 O-C-N 129.232 4.083 . . . . 0.0 109.763 179.203 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 120.085 -1.634 . . . . 0.0 111.874 179.058 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.53 0 C-N-CA 125.134 1.373 . . . . 0.0 112.752 178.704 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.054 0 C-N-CA 128.042 2.734 . . . . 0.0 114.268 -179.052 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.287 0 C-N-CA 128.264 2.626 . . . . 0.0 111.526 -179.512 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 C-N-CA 117.591 -1.644 . . . . 0.0 107.417 179.664 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.289 -2.06 0 CA-C-O 117.268 -1.348 . . . . 0.0 109.052 -179.619 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 N--CA 1.49 1.317 0 C-N-CA 122.833 2.356 . . . . 0.0 111.79 177.391 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.249 1.045 0 O-C-N 118.648 -2.533 . . . . 0.0 115.672 -179.553 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.061 0 C-N-CA 126.611 1.964 . . . . 0.0 110.89 -179.504 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.953 0 C-N-CA 123.461 2.774 . . . . 0.0 115.481 179.107 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-N 121.31 1.868 . . . . 0.0 113.461 178.029 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.803 0 C-N-CA 124.974 1.31 . . . . 0.0 108.061 179.98 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.827 0 C-N-CA 119.017 -1.073 . . . . 0.0 109.781 179.087 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.608 -0.683 . . . . 0.0 109.285 179.071 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 114.235 -1.348 . . . . 0.0 109.729 179.865 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.305 0 CA-C-N 119.589 1.086 . . . . 0.0 111.947 -177.941 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-O 117.091 -1.433 . . . . 0.0 111.852 -178.035 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.297 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -178.955 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.478 0 CA-C-N 114.534 -1.212 . . . . 0.0 109.151 179.772 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-O 124.911 2.291 . . . . 0.0 109.422 178.319 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.497 -1.065 0 CA-C-N 112.742 -2.026 . . . . 0.0 111.314 178.757 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-N 121.141 1.791 . . . . 0.0 112.712 179.859 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.294 0 CA-C-O 118.436 -0.792 . . . . 0.0 112.269 -176.267 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 O-C-N 124.077 0.86 . . . . 0.0 109.108 -179.302 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-O 115.227 -2.32 . . . . 0.0 110.856 -178.097 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.231 0 O-C-N 127.549 3.03 . . . . 0.0 111.066 178.971 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.792 0 C-N-CA 127.406 2.282 . . . . 0.0 113.771 -177.121 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 125.933 2.02 . . . . 0.0 112.185 -179.875 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.346 0 CA-C-N 121.295 1.861 . . . . 0.0 114.826 179.861 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.566 0 C-N-CA 124.785 1.234 . . . . 0.0 111.457 179.555 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 178.922 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 178.288 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.944 0 O-C-N 124.798 1.311 . . . . 0.0 110.059 -178.657 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-N 113.631 -1.622 . . . . 0.0 111.066 178.318 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 127.129 2.171 . . . . 0.0 112.534 -178.604 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 113.727 -1.579 . . . . 0.0 111.989 179.754 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-O 116.748 -1.596 . . . . 0.0 111.661 -178.292 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 126.527 2.392 . . . . 0.0 107.537 178.937 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.437 -1.076 0 C-N-CA 126.445 1.898 . . . . 0.0 113.127 179.245 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.574 -179.163 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.308 -1.212 0 O-C-N 124.43 1.081 . . . . 0.0 108.2 178.152 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 116.574 -1.679 . . . . 0.0 112.101 179.016 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.519 0 N-CA-C 115.897 1.814 . . . . 0.0 115.897 -179.707 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 O-C-N 124.463 1.102 . . . . 0.0 111.134 -177.92 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.111 0 O-C-N 125.409 1.693 . . . . 0.0 111.347 -178.635 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.075 0 C-N-CA 127.279 2.232 . . . . 0.0 107.445 179.088 . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 500' ' ' MXT . . . . . 1.056 H122 ' H ' ' A' ' 42' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 600' ' ' MXT . . . . . 0.88 ' O11' H231 ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.526 ' HB2' H121 ' A' ' 500' ' ' MXT . 0.8 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.312 0 O-C-N 125.664 1.852 . . . . 0.0 106.857 171.856 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.781 1 O-C-N 129.263 4.296 . . . . 0.0 107.961 -177.06 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.929 0 CA-C-N 120.99 1.723 . . . . 0.0 112.671 -178.351 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.201 0 CA-C-N 114.227 -1.351 . . . . 0.0 110.935 -178.594 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.198 0 C-N-CA 127.006 2.122 . . . . 0.0 110.231 -177.965 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.491 0 O-C-N 120.923 -1.111 . . . . 0.0 109.823 179.748 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.579 0 N-CA-C 105.946 -1.872 . . . . 0.0 105.946 -177.68 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 127.142 2.776 . . . . 0.0 107.803 179.14 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.782 0 CA-C-O 115.424 -2.227 . . . . 0.0 106.476 178.017 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.511 2.584 1 O-C-N 130.714 5.009 . . . . 0.0 106.295 177.622 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.165 0 CA-C-O 113.784 -3.007 . . . . 0.0 105.844 -179.817 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-N 121.124 1.784 . . . . 0.0 110.024 -177.773 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 125.915 2.009 . . . . 0.0 105.765 -176.596 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.367 0 O-C-N 127.491 2.994 . . . . 0.0 112.773 -176.381 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.957 0 O-C-N 127.247 2.842 . . . . 0.0 112.247 177.675 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.314 -0.948 0 O-C-N 119.07 -2.269 . . . . 0.0 111.915 -179.689 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.331 -0.198 0 O-C-N 126.64 2.463 . . . . 0.0 109.692 -174.918 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.325 -0.698 0 C-N-CA 124.665 3.577 . . . . 0.0 111.962 179.677 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.873 0 CA-C-N 111.709 -2.496 . . . . 0.0 106.741 179.169 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.267 0 O-C-N 127.517 3.377 . . . . 0.0 107.892 178.969 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.501 0 C-N-CA 121.829 1.686 . . . . 0.0 108.32 178.863 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.6 0 O-C-N 127.072 2.733 . . . . 0.0 112.113 179.982 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.999 0 C-N-CA 126.753 2.021 . . . . 0.0 114.893 -174.418 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.692 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 175.019 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 124.915 1.384 . . . . 0.0 113.651 -175.844 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.418 0 CA-C-O 117.383 -1.294 . . . . 0.0 112.761 -179.375 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.253 1.271 0 CA-C-N 121.727 2.058 . . . . 0.0 114.968 179.615 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.311 -1.445 0 C-N-CA 122.127 1.885 . . . . 0.0 113.305 178.089 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.292 -1.903 0 C-N-CA 129.81 3.244 . . . . 0.0 112.287 178.907 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.044 0 O-C-N 119.406 -2.059 . . . . 0.0 109.548 177.921 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.33 0 CA-C-O 115.578 -2.154 . . . . 0.0 109.207 179.738 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 127.36 2.913 . . . . 0.0 109.4 179.603 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.253 1.244 0 O-C-N 120.269 -1.519 . . . . 0.0 112.893 177.156 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 122.044 0.926 . . . . 0.0 113.384 179.002 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.262 0 C-N-CA 126.454 1.902 . . . . 0.0 109.233 179.751 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 125.094 1.496 . . . . 0.0 110.225 175.907 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.153 0 C-N-CA 127.098 2.159 . . . . 0.0 114.592 178.831 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 1.995 0 CA-C-O 117.074 -1.959 . . . . 0.0 112.366 178.48 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-N 118.122 0.961 . . . . 0.0 108.51 179.301 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 176.042 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.248 0.979 0 C-N-CA 123.92 0.888 . . . . 0.0 112.843 -179.471 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.465 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 -175.562 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.102 0 C-N-CA 125.086 1.354 . . . . 0.0 108.13 175.105 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 177.301 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.21 -0.982 0 CA-C-N 114.31 -1.314 . . . . 0.0 110.107 -179.942 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-O 115.952 -1.975 . . . . 0.0 112.308 178.808 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.559 0 N-CA-C 116.594 2.072 . . . . 0.0 116.594 -174.906 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.603 0 CA-C-O 122.734 1.254 . . . . 0.0 112.342 -178.95 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 122.392 2.061 . . . . 0.0 115.12 -179.562 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 107.435 -1.321 . . . . 0.0 107.435 177.671 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.255 1.394 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 178.348 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.497 -1.094 0 O-C-N 118.315 -2.74 . . . . 0.0 114.61 -179.039 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.294 0 N-CA-C 115.955 1.835 . . . . 0.0 115.955 179.686 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.046 0 CA-C-N 120.284 1.137 . . . . 0.0 114.862 -179.587 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.252 1.021 . . . . 0.0 112.018 179.856 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 O-C-N 125.04 1.463 . . . . 0.0 111.493 -179.74 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.341 0 N-CA-C 116.878 2.177 . . . . 0.0 116.878 179.146 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 127.699 2.4 . . . . 0.0 115.557 -178.059 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.868 0 N-CA-C 117.158 2.281 . . . . 0.0 117.158 -178.573 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.079 0 CA-C-O 115.691 -2.727 . . . . 0.0 118.871 177.651 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.949 0 CA-C-N 124.168 3.984 . . . . 0.0 111.369 179.725 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-O 115.638 -2.125 . . . . 0.0 106.272 177.491 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.505 0 O-C-N 125.462 1.726 . . . . 0.0 107.645 -178.974 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.477 0 O-C-N 125.774 1.921 . . . . 0.0 111.515 -179.677 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-O 122.111 0.958 . . . . 0.0 110.699 179.486 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.036 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 -179.899 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 2.007 0 O-C-N 125.998 2.061 . . . . 0.0 116.184 -179.797 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.805 0 CA-C-O 117.912 -1.042 . . . . 0.0 112.602 -178.227 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.485 1.923 0 N-CA-C 107.858 -2.097 . . . . 0.0 107.858 -178.387 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 125.325 2.488 . . . . 0.0 112.699 -177.843 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.836 0 CA-C-N 110.907 -2.861 . . . . 0.0 110.399 179.193 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 126.414 2.321 . . . . 0.0 105.409 176.601 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.406 0 N-CA-C 117.81 2.522 . . . . 0.0 117.81 -176.571 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 178.81 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 103.816 -2.661 . . . . 0.0 103.816 177.051 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 CA-C-N 111.941 -2.391 . . . . 0.0 108.048 -179.359 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.254 1.366 0 N-CA-C 118.56 2.184 . . . . 0.0 118.56 -178.218 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.672 0 O-C-N 121.449 -1.03 . . . . 0.0 112.207 -179.611 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.654 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -177.194 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.847 0 CA-C-O 124.257 1.98 . . . . 0.0 110.039 -179.793 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.909 0 CA-C-N 113.398 -1.728 . . . . 0.0 108.409 -178.394 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 C--N 1.318 -0.45 0 CA-C-N 114.066 -1.425 . . . . 0.0 110.173 179.285 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 124.802 0.943 . . . . 0.0 110.049 179.917 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 1.017 0 CA-C-N 114.361 -1.29 . . . . 0.0 109.334 179.288 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.484 1.231 0 O-C-N 124.542 1.151 . . . . 0.0 110.172 178.91 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 CA--C 1.501 -0.831 0 N-CA-C 119.071 2.389 . . . . 0.0 119.071 -179.65 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.214 -0.796 0 O-C-N 120.803 -1.41 . . . . 0.0 109.077 179.505 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 178.634 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.266 1.941 0 O-C-N 125.712 1.883 . . . . 0.0 110.225 179.156 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.312 0.577 . . . . 0.0 111.878 -179.166 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 115.725 -2.083 . . . . 0.0 108.816 -177.896 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.909 0 O-C-N 127.249 2.843 . . . . 0.0 110.351 178.685 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 117.695 -1.145 . . . . 0.0 109.582 -179.697 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 O-C-N 128.106 3.379 . . . . 0.0 112.825 -177.703 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.256 0 O-C-N 125.076 1.485 . . . . 0.0 111.747 -178.073 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 123.865 0.866 . . . . 0.0 110.238 178.222 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.292 -1.93 0 N-CA-C 118.056 2.613 . . . . 0.0 118.056 175.738 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.051 0 C-N-CA 124.127 0.971 . . . . 0.0 109.123 177.487 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 127.428 2.955 . . . . 0.0 111.386 -177.913 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.403 0 C-N-CA 130.014 3.326 . . . . 0.0 109.024 178.274 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.968 0 O-C-N 126.779 2.549 . . . . 0.0 113.79 -178.139 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 115.293 1.59 . . . . 0.0 115.293 -178.456 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 124.73 1.268 . . . . 0.0 109.945 178.556 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 123.997 0.919 . . . . 0.0 109.168 179.035 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 123.445 0.698 . . . . 0.0 112.745 -178.529 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-O 116.976 -1.487 . . . . 0.0 110.971 -177.819 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.678 0 CA-C-O 116.727 -1.606 . . . . 0.0 110.676 -176.954 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.252 1.19 0 CA-C-N 119.595 1.089 . . . . 0.0 112.832 -178.843 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 124.976 1.31 . . . . 0.0 111.685 -178.51 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 125.054 1.471 . . . . 0.0 108.314 -179.609 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 126.542 2.401 . . . . 0.0 111.633 -178.965 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.009 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.499 177.546 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.728 0 N-CA-C 114.306 1.225 . . . . 0.0 114.306 -177.726 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.536 0 C-N-CA 125.663 1.585 . . . . 0.0 111.22 177.409 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.466 0.677 0 O-C-N 121.338 -0.851 . . . . 0.0 114.307 -179.384 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 179.229 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 119.842 -1.786 . . . . 0.0 109.698 -179.406 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 116.391 1.997 . . . . 0.0 116.391 -176.951 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 125.316 1.635 . . . . 0.0 110.297 -176.701 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 112.522 -2.126 . . . . 0.0 108.334 175.97 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 N-CA-C 104.495 -2.409 . . . . 0.0 104.495 178.481 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 125.466 1.729 . . . . 0.0 108.327 -177.686 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.298 0 O-C-N 125.87 1.981 . . . . 0.0 110.995 -175.558 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.468 0 O-C-N 126.288 2.731 . . . . 0.0 115.066 -176.535 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.542 0 O-C-N 120.395 -1.441 . . . . 0.0 113.751 177.721 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.374 0 N-CA-C 115.621 1.712 . . . . 0.0 115.621 -176.967 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.264 1.822 0 CA-C-O 115.14 -2.362 . . . . 0.0 112.847 -178.702 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.64 0 CA-C-N 120.881 1.673 . . . . 0.0 114.836 -178.025 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.054 0 C-N-CA 126.98 2.112 . . . . 0.0 111.226 -179.579 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 O-C-N 126.227 2.205 . . . . 0.0 110.44 -179.716 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 125.344 1.457 . . . . 0.0 107.096 177.868 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.737 0 C-N-CA 126.567 1.947 . . . . 0.0 112.591 179.03 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.181 0 CA-C-N 113.191 -1.822 . . . . 0.0 111.41 -177.659 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.142 0 C-N-CA 123.806 0.842 . . . . 0.0 113.135 -179.14 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 104.136 -2.542 . . . . 0.0 104.136 177.444 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 104.846 -2.279 . . . . 0.0 104.846 178.602 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 128.537 3.648 . . . . 0.0 116.964 -175.611 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.305 0 N-CA-C 105.349 -3.1 . . . . 0.0 105.349 177.009 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.367 0 O-C-N 128.53 3.135 . . . . 0.0 106.552 179.762 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.244 0.796 0 C-N-CA 118.973 -1.091 . . . . 0.0 112.692 -177.554 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.717 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 177.528 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.244 0.794 0 CA-C-O 122.447 1.118 . . . . 0.0 108.067 176.432 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.297 0 C-N-CA 121.494 1.463 . . . . 0.0 111.873 -179.766 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 176.992 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 105.297 -2.112 . . . . 0.0 105.297 177.487 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 122.784 1.278 . . . . 0.0 110.103 -176.979 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.25 1.133 0 CA-C-N 112.668 -2.06 . . . . 0.0 112.792 179.947 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.207 0 CA-C-N 118.198 0.999 . . . . 0.0 110.741 179.827 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.938 0 O-C-N 123.45 1.237 . . . . 0.0 111.671 176.876 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.054 0 N-CA-C 103.176 -2.898 . . . . 0.0 103.176 178.384 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.327 0 O-C-N 126.864 2.602 . . . . 0.0 112.249 -178.589 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.691 0 N-CA-C 107.607 -1.728 . . . . 0.0 107.607 179.697 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.947 0 O-C-N 128.081 3.363 . . . . 0.0 103.019 -179.573 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.266 1.958 0 CA-C-O 116.0 -1.952 . . . . 0.0 108.808 -178.948 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.837 0 N-CA-C 104.099 -3.6 . . . . 0.0 104.099 179.362 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.513 0 CA-C-O 115.69 -2.1 . . . . 0.0 109.458 -178.137 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.739 0 N-CA-C 103.665 -2.717 . . . . 0.0 103.665 -179.381 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.079 0 O-C-N 127.733 3.146 . . . . 0.0 113.532 -177.238 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 106.34 -1.726 . . . . 0.0 106.34 -178.5 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.501 3.019 0 O-C-N 126.286 2.241 . . . . 0.0 107.588 -179.042 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.305 -2.291 . . . . 0.0 110.271 -176.927 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--N 1.301 -1.526 1 O-C-N 116.144 -4.097 . . . . 0.0 100.622 -178.307 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.445 -1.331 0 CA-C-O 115.267 -2.056 . . . . 0.0 112.122 -178.812 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.272 -2.785 0 CA-C-N 120.741 1.61 . . . . 0.0 109.597 177.792 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.404 0 CA-C-N 112.822 -1.99 . . . . 0.0 110.582 178.313 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.296 0 O-C-N 120.92 -1.112 . . . . 0.0 110.4 178.578 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.155 0 O-C-N 125.83 1.956 . . . . 0.0 110.283 -178.345 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.076 0 O-C-N 127.014 2.696 . . . . 0.0 107.077 178.92 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.611 0 CA-C-O 122.273 1.035 . . . . 0.0 112.92 177.92 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.916 0 O-C-N 117.417 -3.302 . . . . 0.0 114.578 179.673 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.807 0 O-C-N 125.626 1.829 . . . . 0.0 108.138 179.523 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.579 1 O-C-N 129.222 4.076 . . . . 0.0 109.762 179.202 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 120.073 -1.642 . . . . 0.0 111.853 179.07 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 125.101 1.36 . . . . 0.0 112.774 178.7 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.054 0 C-N-CA 128.012 2.72 . . . . 0.0 114.318 -178.725 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.273 2.293 0 C-N-CA 128.292 2.637 . . . . 0.0 111.515 -178.882 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 C-N-CA 117.603 -1.639 . . . . 0.0 107.352 179.962 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.076 0 CA-C-O 117.28 -1.343 . . . . 0.0 109.065 179.906 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.314 -1.289 0 C-N-CA 122.878 2.385 . . . . 0.0 111.73 179.119 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 0.974 0 O-C-N 118.621 -2.549 . . . . 0.0 115.757 -178.614 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.049 0 C-N-CA 126.608 1.963 . . . . 0.0 110.949 177.831 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.943 0 C-N-CA 123.432 2.755 . . . . 0.0 115.528 179.504 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 121.245 1.839 . . . . 0.0 113.454 177.993 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 124.956 1.303 . . . . 0.0 107.992 -179.955 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.818 0 C-N-CA 119.069 -1.052 . . . . 0.0 109.763 179.107 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.61 -0.681 . . . . 0.0 109.314 179.057 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 114.222 -1.354 . . . . 0.0 109.728 179.818 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-N 119.589 1.086 . . . . 0.0 111.924 -177.92 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-O 117.076 -1.44 . . . . 0.0 111.829 -178.011 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 -178.921 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.468 0 CA-C-N 114.569 -1.196 . . . . 0.0 109.152 179.743 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-O 124.865 2.269 . . . . 0.0 109.407 178.375 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.038 0 CA-C-N 112.758 -2.019 . . . . 0.0 111.307 178.786 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.731 0 CA-C-N 121.124 1.784 . . . . 0.0 112.796 179.815 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.253 1.278 0 CA-C-O 118.48 -0.771 . . . . 0.0 112.264 -176.307 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 O-C-N 124.036 0.835 . . . . 0.0 109.134 -179.327 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-O 115.252 -2.309 . . . . 0.0 110.874 -178.114 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.198 0 O-C-N 127.526 3.016 . . . . 0.0 111.061 178.981 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.789 0 C-N-CA 127.378 2.271 . . . . 0.0 113.818 -177.204 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 125.94 2.025 . . . . 0.0 112.233 -179.941 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.255 1.412 0 CA-C-N 121.299 1.863 . . . . 0.0 114.785 179.822 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.596 0 C-N-CA 124.801 1.24 . . . . 0.0 111.454 179.522 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 178.946 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 178.205 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 O-C-N 124.848 1.343 . . . . 0.0 110.021 -178.69 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 113.633 -1.621 . . . . 0.0 111.01 178.37 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.532 0 C-N-CA 127.144 2.177 . . . . 0.0 112.512 -178.503 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 113.71 -1.586 . . . . 0.0 111.969 179.774 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.678 0 CA-C-O 116.788 -1.577 . . . . 0.0 111.692 -178.3 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 126.489 2.368 . . . . 0.0 107.559 178.898 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.437 -1.079 0 C-N-CA 126.383 1.873 . . . . 0.0 113.182 179.229 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.647 -179.226 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-O 122.345 1.069 . . . . 0.0 108.244 178.059 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-O 116.58 -1.676 . . . . 0.0 112.103 179.084 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.257 1.483 0 N-CA-C 115.905 1.817 . . . . 0.0 115.905 -179.741 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 O-C-N 124.465 1.103 . . . . 0.0 111.08 -177.907 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.11 0 O-C-N 125.403 1.69 . . . . 0.0 111.319 -178.612 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.076 0 C-N-CA 127.24 2.216 . . . . 0.0 107.446 179.102 . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 500' ' ' MXT . . . . . 0.764 H231 ' O11' ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 600' ' ' MXT . . . . . 0.634 H231 ' O12' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.923 ' O ' ' O11' ' A' ' 500' ' ' MXT . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 1.227 ' CA ' H122 ' A' ' 500' ' ' MXT . 15.2 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.79 ' H ' H121 ' A' ' 500' ' ' MXT . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.307 0 O-C-N 125.664 1.852 . . . . 0.0 106.884 168.262 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.704 1 O-C-N 129.179 4.252 . . . . 0.0 107.978 -174.983 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.905 0 CA-C-N 120.992 1.723 . . . . 0.0 112.581 -177.998 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.502 2.152 0 CA-C-N 114.264 -1.334 . . . . 0.0 110.942 -177.735 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.183 0 C-N-CA 127.013 2.125 . . . . 0.0 110.216 -177.207 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.256 1.433 0 O-C-N 120.906 -1.121 . . . . 0.0 109.855 179.932 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.26 1.627 0 N-CA-C 105.973 -1.862 . . . . 0.0 105.973 -176.783 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 127.094 2.746 . . . . 0.0 107.806 179.318 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.572 1.805 0 CA-C-O 115.433 -2.222 . . . . 0.0 106.411 178.81 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.533 1 O-C-N 130.709 5.005 . . . . 0.0 106.34 177.08 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.153 0 CA-C-O 113.715 -3.04 . . . . 0.0 105.85 -179.808 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-N 121.165 1.802 . . . . 0.0 110.036 -177.806 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.294 -1.817 0 O-C-N 125.877 1.985 . . . . 0.0 105.792 -176.592 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.254 1.339 0 O-C-N 127.487 2.992 . . . . 0.0 112.786 -176.377 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.965 0 O-C-N 127.206 2.817 . . . . 0.0 112.231 177.671 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 122.167 2.258 . . . . 0.0 111.921 -179.653 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.331 -0.206 0 O-C-N 126.652 2.47 . . . . 0.0 109.697 -174.885 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.711 0 C-N-CA 124.696 3.598 . . . . 0.0 111.909 179.744 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.861 0 CA-C-N 111.697 -2.501 . . . . 0.0 106.731 179.188 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.286 0 O-C-N 127.485 3.361 . . . . 0.0 107.912 178.945 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.507 0 C-N-CA 121.841 1.694 . . . . 0.0 108.339 178.872 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.615 0 O-C-N 127.046 2.716 . . . . 0.0 112.228 179.895 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.986 0 C-N-CA 126.724 2.01 . . . . 0.0 114.901 -174.447 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.682 0 N-CA-C 107.753 -1.202 . . . . 0.0 107.753 174.991 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.314 0 O-C-N 124.849 1.343 . . . . 0.0 113.643 -175.793 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.432 0 CA-C-O 117.363 -1.303 . . . . 0.0 112.755 -179.393 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.324 0 CA-C-N 121.754 2.07 . . . . 0.0 114.953 179.595 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.458 0 C-N-CA 122.15 1.9 . . . . 0.0 113.321 178.092 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.885 0 C-N-CA 129.812 3.245 . . . . 0.0 112.272 178.886 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.051 0 O-C-N 119.362 -2.086 . . . . 0.0 109.516 177.983 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.333 0 CA-C-O 115.615 -2.136 . . . . 0.0 109.255 179.721 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 127.374 2.921 . . . . 0.0 109.393 179.603 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.228 0 O-C-N 120.261 -1.524 . . . . 0.0 112.874 177.156 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-O 122.004 0.907 . . . . 0.0 113.294 179.078 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.276 0 C-N-CA 126.513 1.925 . . . . 0.0 109.256 179.737 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.776 0 O-C-N 125.115 1.509 . . . . 0.0 110.25 175.831 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.155 0 C-N-CA 127.111 2.164 . . . . 0.0 114.592 178.854 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.011 0 CA-C-O 117.109 -1.939 . . . . 0.0 112.372 178.478 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-N 118.11 0.955 . . . . 0.0 108.512 179.234 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 176.049 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.248 0.981 0 C-N-CA 123.94 0.896 . . . . 0.0 112.869 -179.543 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.256 1.424 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 -175.534 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.083 0 C-N-CA 125.024 1.33 . . . . 0.0 108.079 175.11 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 177.31 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.95 0 CA-C-N 114.326 -1.306 . . . . 0.0 110.081 -179.929 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-O 116.029 -1.939 . . . . 0.0 112.337 178.827 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.278 -2.529 0 N-CA-C 116.555 2.058 . . . . 0.0 116.555 -174.876 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.597 0 CA-C-O 122.79 1.281 . . . . 0.0 112.28 -178.936 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 122.395 2.063 . . . . 0.0 115.134 -179.568 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 177.638 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.416 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 178.352 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.497 -1.076 0 O-C-N 118.365 -2.709 . . . . 0.0 114.576 -179.007 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.299 0 N-CA-C 115.953 1.834 . . . . 0.0 115.953 179.728 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.067 0 CA-C-N 120.264 1.13 . . . . 0.0 114.915 -179.664 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.321 1.049 . . . . 0.0 112.007 179.869 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 O-C-N 125.107 1.504 . . . . 0.0 111.445 -179.682 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.301 0 N-CA-C 116.908 2.188 . . . . 0.0 116.908 179.134 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 127.571 2.348 . . . . 0.0 115.594 -178.036 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.856 0 N-CA-C 117.12 2.267 . . . . 0.0 117.12 -178.548 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.069 0 CA-C-O 115.688 -2.729 . . . . 0.0 118.86 177.661 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.95 0 CA-C-N 124.165 3.983 . . . . 0.0 111.368 179.719 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-O 115.657 -2.116 . . . . 0.0 106.257 177.519 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.302 -1.494 0 O-C-N 125.482 1.738 . . . . 0.0 107.641 -178.986 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.484 0 O-C-N 125.8 1.938 . . . . 0.0 111.477 -179.671 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-O 122.098 0.951 . . . . 0.0 110.747 179.373 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.067 0 N-CA-C 106.762 -1.57 . . . . 0.0 106.762 -179.898 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 2.005 0 O-C-N 125.98 2.05 . . . . 0.0 116.214 -179.838 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.792 0 CA-C-O 117.921 -1.037 . . . . 0.0 112.606 -178.246 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 1.986 0 N-CA-C 107.823 -2.111 . . . . 0.0 107.823 -178.403 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 125.325 2.488 . . . . 0.0 112.666 -177.809 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.244 0.814 0 CA-C-N 110.898 -2.864 . . . . 0.0 110.406 179.197 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -0.984 0 O-C-N 126.347 2.279 . . . . 0.0 105.421 176.641 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.386 0 N-CA-C 117.763 2.505 . . . . 0.0 117.763 -176.52 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.776 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 103.866 -2.642 . . . . 0.0 103.866 177.033 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 CA-C-N 112.028 -2.351 . . . . 0.0 108.043 -179.318 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.304 0 N-CA-C 118.536 2.174 . . . . 0.0 118.536 -178.26 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 O-C-N 121.427 -1.043 . . . . 0.0 112.184 -179.652 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.661 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -177.132 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.862 0 CA-C-O 124.216 1.96 . . . . 0.0 110.043 -179.767 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.916 0 CA-C-N 113.418 -1.719 . . . . 0.0 108.435 -178.446 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 C--N 1.318 -0.468 0 CA-C-N 114.054 -1.43 . . . . 0.0 110.2 179.233 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 124.771 0.924 . . . . 0.0 110.004 179.944 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.249 1.03 0 CA-C-N 114.387 -1.278 . . . . 0.0 109.355 179.292 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.201 0 O-C-N 124.499 1.124 . . . . 0.0 110.201 178.86 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.846 0 N-CA-C 119.069 2.388 . . . . 0.0 119.069 -179.624 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.851 0 O-C-N 120.906 -1.349 . . . . 0.0 109.095 179.459 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 107.086 -1.45 . . . . 0.0 107.086 178.637 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.869 0 O-C-N 125.677 1.86 . . . . 0.0 110.271 179.153 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.306 0.574 . . . . 0.0 111.877 -179.195 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 115.727 -2.082 . . . . 0.0 108.785 -177.877 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.293 -1.884 0 O-C-N 127.264 2.853 . . . . 0.0 110.386 178.69 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 117.671 -1.157 . . . . 0.0 109.584 -179.703 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 O-C-N 128.123 3.39 . . . . 0.0 112.827 -177.731 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.252 1.219 0 O-C-N 125.151 1.532 . . . . 0.0 111.751 -178.042 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 123.875 0.87 . . . . 0.0 110.183 178.28 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.292 -1.893 0 N-CA-C 118.078 2.622 . . . . 0.0 118.078 175.675 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.035 0 C-N-CA 124.067 0.947 . . . . 0.0 109.05 177.521 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 127.433 2.958 . . . . 0.0 111.38 -177.966 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.388 0 C-N-CA 129.945 3.298 . . . . 0.0 108.987 178.311 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.954 0 O-C-N 126.8 2.562 . . . . 0.0 113.732 -178.113 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 115.306 1.595 . . . . 0.0 115.306 -178.436 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 124.711 1.257 . . . . 0.0 109.97 178.528 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.303 -1.433 0 C-N-CA 124.015 0.926 . . . . 0.0 109.18 179.048 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.879 0 C-N-CA 123.452 0.701 . . . . 0.0 112.71 -178.429 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-O 116.965 -1.493 . . . . 0.0 111.003 -177.832 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.665 0 CA-C-O 116.751 -1.595 . . . . 0.0 110.705 -176.982 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.162 0 CA-C-N 119.599 1.09 . . . . 0.0 112.863 -178.935 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 124.959 1.304 . . . . 0.0 111.709 -178.473 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 125.065 1.478 . . . . 0.0 108.283 -179.577 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 126.612 2.445 . . . . 0.0 111.612 -178.935 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.003 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.513 177.566 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 114.269 1.211 . . . . 0.0 114.269 -177.744 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 125.678 1.591 . . . . 0.0 111.251 177.393 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 C--O 1.243 0.671 0 O-C-N 121.307 -0.871 . . . . 0.0 114.252 -179.431 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.602 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 179.252 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 119.832 -1.792 . . . . 0.0 109.665 -179.364 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.919 0 N-CA-C 116.32 1.97 . . . . 0.0 116.32 -176.937 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 125.247 1.592 . . . . 0.0 110.289 -176.62 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 112.567 -2.106 . . . . 0.0 108.254 176.053 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 N-CA-C 104.493 -2.41 . . . . 0.0 104.493 178.491 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 125.425 1.703 . . . . 0.0 108.291 -177.663 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.278 0 O-C-N 125.905 2.003 . . . . 0.0 110.947 -175.562 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.474 -2.482 0 O-C-N 126.233 2.701 . . . . 0.0 115.048 -176.502 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.543 0 O-C-N 120.389 -1.445 . . . . 0.0 113.833 177.681 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.256 1.402 0 N-CA-C 115.633 1.716 . . . . 0.0 115.633 -177.024 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.263 1.805 0 CA-C-O 115.047 -2.406 . . . . 0.0 112.756 -178.707 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.628 0 CA-C-N 120.947 1.703 . . . . 0.0 114.812 -177.995 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.048 0 C-N-CA 127.023 2.129 . . . . 0.0 111.188 -179.504 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 O-C-N 126.307 2.255 . . . . 0.0 110.473 -179.746 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 125.341 1.457 . . . . 0.0 107.075 177.884 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.261 1.71 0 C-N-CA 126.557 1.943 . . . . 0.0 112.611 179.031 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.176 0 CA-C-N 113.18 -1.827 . . . . 0.0 111.468 -177.729 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.132 0 C-N-CA 123.825 0.85 . . . . 0.0 113.207 -179.076 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 104.168 -2.531 . . . . 0.0 104.168 177.464 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 104.834 -2.284 . . . . 0.0 104.834 178.664 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 128.468 3.605 . . . . 0.0 117.02 -175.627 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.582 4.275 0 N-CA-C 105.331 -3.107 . . . . 0.0 105.331 177.073 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.273 2.303 0 O-C-N 128.424 3.073 . . . . 0.0 106.548 179.737 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.83 0 C-N-CA 118.937 -1.105 . . . . 0.0 112.739 -177.639 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.769 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 177.541 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.244 0.794 0 CA-C-O 122.508 1.147 . . . . 0.0 108.032 176.431 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.294 0 C-N-CA 121.491 1.461 . . . . 0.0 111.908 -179.766 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 177.005 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 105.383 -2.08 . . . . 0.0 105.383 177.463 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 122.778 1.275 . . . . 0.0 110.072 -176.924 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.165 0 CA-C-N 112.663 -2.062 . . . . 0.0 112.76 179.465 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.237 0 CA-C-N 118.173 0.987 . . . . 0.0 110.756 179.581 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.918 0 O-C-N 123.485 1.255 . . . . 0.0 111.657 177.498 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.553 1.066 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 178.661 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.306 -1.326 0 O-C-N 126.882 2.614 . . . . 0.0 112.217 -178.778 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.725 0 N-CA-C 107.57 -1.742 . . . . 0.0 107.57 179.996 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.963 0 O-C-N 128.116 3.385 . . . . 0.0 103.031 -179.57 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.991 0 CA-C-O 115.988 -1.958 . . . . 0.0 108.826 179.726 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 C--N 1.293 -1.824 0 N-CA-C 104.11 -3.596 . . . . 0.0 104.11 -179.217 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.257 1.495 0 CA-C-O 115.643 -2.123 . . . . 0.0 109.48 -177.76 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.718 0 N-CA-C 103.685 -2.709 . . . . 0.0 103.685 -179.76 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.062 0 O-C-N 127.761 3.163 . . . . 0.0 113.502 -178.05 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 -177.901 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.951 0 O-C-N 126.288 2.243 . . . . 0.0 107.62 -179.286 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.137 -2.39 . . . . 0.0 110.271 -177.194 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.253 1.282 0 O-C-N 116.331 -3.981 . . . . 0.0 100.584 -179.248 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.266 0 CA-C-O 115.261 -2.058 . . . . 0.0 112.142 179.845 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.272 -2.775 0 CA-C-N 120.687 1.585 . . . . 0.0 109.564 177.802 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.274 2.382 0 CA-C-N 112.795 -2.002 . . . . 0.0 110.576 178.34 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.434 -1.271 0 O-C-N 120.967 -1.083 . . . . 0.0 110.388 178.595 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.556 1.183 0 O-C-N 125.801 1.938 . . . . 0.0 110.237 -178.302 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.072 0 O-C-N 127.059 2.724 . . . . 0.0 107.035 178.986 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.616 0 CA-C-O 122.183 0.992 . . . . 0.0 112.888 177.889 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.881 0 O-C-N 117.462 -3.274 . . . . 0.0 114.578 179.686 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.571 1.786 0 O-C-N 125.584 1.802 . . . . 0.0 108.17 179.508 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.572 1 O-C-N 129.225 4.078 . . . . 0.0 109.775 179.152 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 120.078 -1.639 . . . . 0.0 111.828 179.097 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 125.126 1.371 . . . . 0.0 112.763 178.723 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.29 -2.024 0 C-N-CA 128.027 2.727 . . . . 0.0 114.324 -178.365 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.274 0 C-N-CA 128.237 2.615 . . . . 0.0 111.527 -179.42 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 C-N-CA 117.582 -1.647 . . . . 0.0 107.41 179.661 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.287 -2.131 0 CA-C-O 117.24 -1.362 . . . . 0.0 108.986 179.886 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.34 0 C-N-CA 122.866 2.377 . . . . 0.0 111.742 179.118 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.249 1.036 0 O-C-N 118.644 -2.535 . . . . 0.0 115.666 -177.476 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.311 -1.071 0 C-N-CA 126.637 1.975 . . . . 0.0 110.932 -177.55 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.506 -0.896 0 C-N-CA 123.445 2.764 . . . . 0.0 115.448 175.994 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.706 0 CA-C-N 121.315 1.871 . . . . 0.0 113.412 178.034 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 124.976 1.31 . . . . 0.0 107.987 -179.95 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.822 0 C-N-CA 119.054 -1.059 . . . . 0.0 109.794 179.078 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.633 -0.667 . . . . 0.0 109.341 179.084 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 114.218 -1.356 . . . . 0.0 109.73 179.841 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 119.576 1.08 . . . . 0.0 111.977 -177.972 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-O 117.09 -1.433 . . . . 0.0 111.86 -178.009 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 115.019 1.489 . . . . 0.0 115.019 -178.951 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.256 1.447 0 CA-C-N 114.587 -1.188 . . . . 0.0 109.173 179.749 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-O 124.894 2.283 . . . . 0.0 109.441 178.335 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.028 0 CA-C-N 112.744 -2.025 . . . . 0.0 111.295 178.786 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.297 -1.704 0 CA-C-N 121.107 1.776 . . . . 0.0 112.761 179.852 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.253 1.287 0 CA-C-O 118.449 -0.786 . . . . 0.0 112.289 -176.299 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 O-C-N 124.102 0.876 . . . . 0.0 109.08 -179.327 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-O 115.203 -2.332 . . . . 0.0 110.911 -178.147 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.307 -1.255 0 O-C-N 127.564 3.04 . . . . 0.0 111.061 178.94 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.767 0 C-N-CA 127.34 2.256 . . . . 0.0 113.795 -177.156 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 125.947 2.029 . . . . 0.0 112.212 -179.944 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.392 0 CA-C-N 121.293 1.86 . . . . 0.0 114.823 179.866 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.56 0 C-N-CA 124.843 1.257 . . . . 0.0 111.424 179.535 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 107.168 -1.419 . . . . 0.0 107.168 178.943 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 178.23 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 O-C-N 124.84 1.338 . . . . 0.0 110.013 -178.642 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-N 113.676 -1.602 . . . . 0.0 111.04 178.344 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 127.17 2.188 . . . . 0.0 112.526 -178.566 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 113.736 -1.575 . . . . 0.0 111.961 179.784 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.678 0 CA-C-O 116.767 -1.587 . . . . 0.0 111.689 -178.287 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 126.496 2.373 . . . . 0.0 107.556 178.86 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.056 0 C-N-CA 126.401 1.881 . . . . 0.0 113.133 179.258 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.116 -0.947 . . . . 0.0 109.633 -179.186 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.189 0 O-C-N 124.436 1.085 . . . . 0.0 108.228 178.131 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-O 116.583 -1.675 . . . . 0.0 112.12 179.065 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.535 0 N-CA-C 115.891 1.812 . . . . 0.0 115.891 -179.736 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 O-C-N 124.479 1.112 . . . . 0.0 111.118 -177.921 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.124 0 O-C-N 125.454 1.721 . . . . 0.0 111.379 -178.681 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.078 0 C-N-CA 127.281 2.232 . . . . 0.0 107.441 179.154 . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 500' ' ' MXT . . . . . 1.227 H122 ' CA ' ' A' ' 41' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 600' ' ' MXT . . . . . 0.688 H231 ' O11' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.642 ' O ' ' O11' ' A' ' 500' ' ' MXT . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.466 ' C ' H122 ' A' ' 500' ' ' MXT . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.706 ' N ' H122 ' A' ' 500' ' ' MXT . 0.5 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 1.055 ' N ' H121 ' A' ' 500' ' ' MXT . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.506 2.33 0 O-C-N 125.664 1.852 . . . . 0.0 106.847 169.4 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.702 1 O-C-N 129.176 4.25 . . . . 0.0 107.973 -172.997 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.898 0 CA-C-N 121.041 1.746 . . . . 0.0 112.64 179.907 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.502 2.164 0 CA-C-N 114.262 -1.335 . . . . 0.0 110.941 177.64 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.171 0 C-N-CA 126.989 2.116 . . . . 0.0 110.219 -178.243 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.454 0 O-C-N 120.825 -1.172 . . . . 0.0 109.829 -176.595 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.582 0 N-CA-C 105.965 -1.865 . . . . 0.0 105.965 -179.703 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 127.137 2.773 . . . . 0.0 107.838 -178.786 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.572 1.789 0 CA-C-O 115.422 -2.227 . . . . 0.0 106.412 178.537 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.529 1 O-C-N 130.737 5.023 . . . . 0.0 106.332 179.541 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.132 0 CA-C-O 113.73 -3.033 . . . . 0.0 105.886 -179.85 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-N 121.132 1.787 . . . . 0.0 110.01 -177.779 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.294 -1.818 0 O-C-N 125.898 1.999 . . . . 0.0 105.8 -176.591 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.254 1.336 0 O-C-N 127.49 2.994 . . . . 0.0 112.718 -176.342 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.972 0 O-C-N 127.24 2.838 . . . . 0.0 112.252 177.677 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.314 -0.955 0 O-C-N 119.025 -2.297 . . . . 0.0 111.893 -179.66 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.331 -0.222 0 O-C-N 126.715 2.509 . . . . 0.0 109.74 -174.897 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.752 0 C-N-CA 124.679 3.586 . . . . 0.0 111.953 179.71 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.845 0 CA-C-N 111.747 -2.479 . . . . 0.0 106.789 179.127 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.255 0 O-C-N 127.501 3.369 . . . . 0.0 107.932 178.999 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.509 0 C-N-CA 121.835 1.69 . . . . 0.0 108.298 178.904 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.428 -1.574 0 O-C-N 127.08 2.737 . . . . 0.0 112.137 179.982 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.996 0 C-N-CA 126.749 2.02 . . . . 0.0 114.916 -174.498 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.57 1.722 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 175.025 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 124.921 1.388 . . . . 0.0 113.64 -175.827 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.435 0 CA-C-O 117.413 -1.28 . . . . 0.0 112.767 -179.399 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.253 1.277 0 CA-C-N 121.772 2.078 . . . . 0.0 114.959 179.552 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.465 0 C-N-CA 122.156 1.904 . . . . 0.0 113.303 178.099 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.292 -1.895 0 C-N-CA 129.762 3.225 . . . . 0.0 112.306 178.896 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.313 -1.019 0 O-C-N 119.387 -2.07 . . . . 0.0 109.531 177.957 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.559 1.318 0 CA-C-O 115.559 -2.162 . . . . 0.0 109.25 179.672 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 127.404 2.94 . . . . 0.0 109.357 179.626 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.253 1.25 0 O-C-N 120.312 -1.493 . . . . 0.0 112.859 177.2 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 122.047 0.927 . . . . 0.0 113.325 179.03 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.241 0 C-N-CA 126.484 1.914 . . . . 0.0 109.26 179.741 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 125.099 1.499 . . . . 0.0 110.264 175.835 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.269 2.111 0 C-N-CA 127.091 2.156 . . . . 0.0 114.576 178.805 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.545 1.943 0 CA-C-O 117.134 -1.926 . . . . 0.0 112.386 178.458 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-N 118.153 0.976 . . . . 0.0 108.488 179.304 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 176.068 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.934 0 C-N-CA 123.903 0.881 . . . . 0.0 112.882 -179.504 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.475 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 -175.526 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.095 0 C-N-CA 125.086 1.354 . . . . 0.0 108.15 175.036 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 177.264 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.931 0 CA-C-N 114.295 -1.321 . . . . 0.0 110.126 -179.913 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-O 116.004 -1.951 . . . . 0.0 112.315 178.853 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.278 -2.538 0 N-CA-C 116.565 2.061 . . . . 0.0 116.565 -174.884 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.599 0 CA-C-O 122.759 1.266 . . . . 0.0 112.297 -178.969 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 122.34 2.027 . . . . 0.0 115.13 -179.564 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 177.615 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.42 0 N-CA-C 115.176 1.546 . . . . 0.0 115.176 178.388 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.105 0 O-C-N 118.347 -2.721 . . . . 0.0 114.673 -179.103 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.324 0 N-CA-C 115.952 1.834 . . . . 0.0 115.952 179.653 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.058 0 CA-C-N 120.316 1.148 . . . . 0.0 114.882 -179.607 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.272 1.029 . . . . 0.0 112.041 179.85 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 O-C-N 125.044 1.465 . . . . 0.0 111.467 -179.777 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.255 1.36 0 N-CA-C 116.929 2.196 . . . . 0.0 116.929 179.132 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 127.616 2.366 . . . . 0.0 115.558 -178.102 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.857 0 N-CA-C 117.129 2.27 . . . . 0.0 117.129 -178.52 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.482 -1.994 0 CA-C-O 115.697 -2.724 . . . . 0.0 118.838 177.676 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.971 0 CA-C-N 124.147 3.973 . . . . 0.0 111.384 179.701 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-O 115.656 -2.116 . . . . 0.0 106.263 177.51 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.505 0 O-C-N 125.516 1.76 . . . . 0.0 107.615 -178.974 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.479 0 O-C-N 125.77 1.919 . . . . 0.0 111.514 -179.681 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-O 122.086 0.946 . . . . 0.0 110.733 179.388 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.248 1.011 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 -179.901 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.266 1.955 0 O-C-N 125.989 2.056 . . . . 0.0 116.221 -179.843 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.81 0 CA-C-O 117.897 -1.049 . . . . 0.0 112.576 -178.287 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 1.981 0 N-CA-C 107.809 -2.116 . . . . 0.0 107.809 -178.397 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 125.308 2.48 . . . . 0.0 112.655 -177.787 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.86 0 CA-C-N 110.94 -2.846 . . . . 0.0 110.403 179.231 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.314 -0.967 0 O-C-N 126.389 2.305 . . . . 0.0 105.433 176.602 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.409 0 N-CA-C 117.791 2.515 . . . . 0.0 117.791 -176.582 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 178.755 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 103.825 -2.658 . . . . 0.0 103.825 177.062 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 CA-C-N 112.036 -2.347 . . . . 0.0 108.08 -179.357 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.303 0 N-CA-C 118.524 2.17 . . . . 0.0 118.524 -178.22 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.241 0.652 0 O-C-N 121.46 -1.023 . . . . 0.0 112.248 -179.669 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.668 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 -177.173 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.866 0 CA-C-O 124.246 1.974 . . . . 0.0 110.008 -179.741 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.245 0.845 0 CA-C-N 113.385 -1.734 . . . . 0.0 108.407 -178.392 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 C--N 1.318 -0.441 0 CA-C-N 114.02 -1.445 . . . . 0.0 110.194 179.279 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 124.843 0.966 . . . . 0.0 110.017 179.912 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.984 0 CA-C-N 114.347 -1.297 . . . . 0.0 109.368 179.296 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.216 0 O-C-N 124.556 1.16 . . . . 0.0 110.214 178.867 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.31 -0.864 0 N-CA-C 119.041 2.376 . . . . 0.0 119.041 -179.659 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.822 0 O-C-N 120.851 -1.382 . . . . 0.0 109.028 179.508 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 107.07 -1.455 . . . . 0.0 107.07 178.626 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.889 0 O-C-N 125.707 1.88 . . . . 0.0 110.272 179.142 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.339 0.59 . . . . 0.0 111.894 -179.183 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 115.736 -2.078 . . . . 0.0 108.863 -177.965 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.293 -1.863 0 O-C-N 127.248 2.842 . . . . 0.0 110.402 178.681 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 N--CA 1.44 -0.94 0 CA-C-O 117.675 -1.155 . . . . 0.0 109.598 -179.694 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 O-C-N 128.134 3.396 . . . . 0.0 112.826 -177.709 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.249 0 O-C-N 125.12 1.513 . . . . 0.0 111.728 -178.089 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 123.887 0.875 . . . . 0.0 110.181 178.264 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.292 -1.926 0 N-CA-C 118.058 2.614 . . . . 0.0 118.058 175.704 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.041 0 C-N-CA 124.085 0.954 . . . . 0.0 109.099 177.541 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 127.448 2.968 . . . . 0.0 111.374 -177.96 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.305 -1.364 0 C-N-CA 129.975 3.31 . . . . 0.0 108.915 178.38 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.246 0.916 0 O-C-N 126.771 2.544 . . . . 0.0 113.733 -178.132 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 115.256 1.576 . . . . 0.0 115.256 -178.362 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 124.744 1.277 . . . . 0.0 109.943 178.584 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.303 -1.441 0 C-N-CA 124.014 0.925 . . . . 0.0 109.195 179.004 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.315 -0.903 0 C-N-CA 123.495 0.718 . . . . 0.0 112.678 -178.405 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-O 116.979 -1.486 . . . . 0.0 110.973 -177.813 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 CA-C-O 116.737 -1.601 . . . . 0.0 110.676 -176.953 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.164 0 CA-C-N 119.607 1.094 . . . . 0.0 112.875 -178.913 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 124.961 1.305 . . . . 0.0 111.697 -178.477 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 125.045 1.466 . . . . 0.0 108.273 -179.588 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 126.567 2.417 . . . . 0.0 111.617 -178.909 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.249 1.029 0 C-N-CA 120.134 -0.626 . . . . 0.0 110.505 177.559 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 -177.758 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.3 -1.564 0 C-N-CA 125.676 1.591 . . . . 0.0 111.232 177.38 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.466 0.67 0 O-C-N 121.309 -0.869 . . . . 0.0 114.247 -179.408 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 113.318 0.858 . . . . 0.0 113.318 179.173 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 119.857 -1.777 . . . . 0.0 109.7 -179.398 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.44 -0.938 0 N-CA-C 116.349 1.981 . . . . 0.0 116.349 -176.932 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 125.26 1.6 . . . . 0.0 110.339 -176.681 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 112.552 -2.113 . . . . 0.0 108.322 176.016 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 N-CA-C 104.475 -2.417 . . . . 0.0 104.475 178.52 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 125.372 1.67 . . . . 0.0 108.278 -177.707 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.283 0 O-C-N 125.893 1.996 . . . . 0.0 110.988 -175.545 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.441 0 O-C-N 126.269 2.721 . . . . 0.0 115.025 -176.493 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.259 1.562 0 O-C-N 120.401 -1.437 . . . . 0.0 113.801 177.688 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.377 0 N-CA-C 115.621 1.711 . . . . 0.0 115.621 -176.969 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.264 1.829 0 CA-C-O 115.059 -2.401 . . . . 0.0 112.791 -178.709 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.609 0 CA-C-N 120.942 1.701 . . . . 0.0 114.835 -178.019 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.058 0 C-N-CA 127.049 2.14 . . . . 0.0 111.19 -179.54 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 O-C-N 126.249 2.218 . . . . 0.0 110.502 -179.787 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 125.388 1.475 . . . . 0.0 107.05 177.918 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.744 0 C-N-CA 126.523 1.929 . . . . 0.0 112.665 178.977 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.177 0 CA-C-N 113.192 -1.822 . . . . 0.0 111.43 -177.726 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.146 0 C-N-CA 123.829 0.851 . . . . 0.0 113.156 -179.11 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 104.151 -2.537 . . . . 0.0 104.151 177.469 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 104.81 -2.293 . . . . 0.0 104.81 178.669 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 128.576 3.673 . . . . 0.0 116.956 -175.632 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.312 0 N-CA-C 105.334 -3.106 . . . . 0.0 105.334 177.091 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.382 0 O-C-N 128.488 3.111 . . . . 0.0 106.518 179.824 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.832 0 C-N-CA 118.926 -1.11 . . . . 0.0 112.71 -177.645 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 177.495 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.824 0 CA-C-O 122.468 1.127 . . . . 0.0 108.093 176.44 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.281 0 C-N-CA 121.561 1.507 . . . . 0.0 111.842 -179.717 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 176.982 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 105.369 -2.086 . . . . 0.0 105.369 177.453 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 122.807 1.289 . . . . 0.0 110.087 -176.885 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.25 1.109 0 CA-C-N 112.718 -2.037 . . . . 0.0 112.768 178.986 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.23 0 CA-C-N 118.165 0.982 . . . . 0.0 110.796 179.95 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.928 0 O-C-N 123.517 1.272 . . . . 0.0 111.608 177.277 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 103.165 -2.902 . . . . 0.0 103.165 178.526 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.306 -1.32 0 O-C-N 126.877 2.61 . . . . 0.0 112.254 -179.105 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.44 -1.671 0 N-CA-C 107.564 -1.745 . . . . 0.0 107.564 -179.561 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.954 0 O-C-N 128.111 3.382 . . . . 0.0 103.013 179.923 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.266 1.925 0 CA-C-O 115.992 -1.956 . . . . 0.0 108.795 179.426 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.816 0 N-CA-C 104.096 -3.602 . . . . 0.0 104.096 -178.563 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.506 0 CA-C-O 115.71 -2.091 . . . . 0.0 109.498 -179.997 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.732 0 N-CA-C 103.716 -2.698 . . . . 0.0 103.716 -176.115 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.496 -1.1 0 O-C-N 127.751 3.157 . . . . 0.0 113.528 -178.842 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 106.294 -1.743 . . . . 0.0 106.294 -177.958 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.501 2.989 0 O-C-N 126.279 2.237 . . . . 0.0 107.587 -178.806 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 120.7 -1.471 . . . . 0.0 110.271 179.92 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.306 0 N-CA-C 100.616 -3.846 . . . . 0.0 100.616 -176.686 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.445 -1.33 0 CA-C-O 115.24 -2.067 . . . . 0.0 112.121 177.973 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.808 0 CA-C-N 120.707 1.594 . . . . 0.0 109.525 177.817 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.276 2.47 0 CA-C-N 112.855 -1.975 . . . . 0.0 110.603 178.334 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.308 0 O-C-N 120.9 -1.125 . . . . 0.0 110.446 178.551 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.172 0 O-C-N 125.798 1.936 . . . . 0.0 110.247 -178.354 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.081 0 O-C-N 127.069 2.731 . . . . 0.0 107.052 178.961 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.632 0 CA-C-O 122.222 1.01 . . . . 0.0 112.937 177.859 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.892 0 O-C-N 117.458 -3.276 . . . . 0.0 114.59 179.72 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.571 1.767 0 O-C-N 125.594 1.809 . . . . 0.0 108.159 179.451 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.299 -1.598 1 O-C-N 129.232 4.082 . . . . 0.0 109.744 179.222 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 120.005 -1.685 . . . . 0.0 111.901 179.032 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 125.129 1.372 . . . . 0.0 112.756 178.754 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.032 0 C-N-CA 128.013 2.721 . . . . 0.0 114.325 -178.322 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.288 0 C-N-CA 128.286 2.635 . . . . 0.0 111.516 -179.787 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 C-N-CA 117.603 -1.639 . . . . 0.0 107.372 178.685 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.287 -2.13 0 CA-C-O 117.257 -1.354 . . . . 0.0 109.022 -179.21 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.317 0 C-N-CA 122.859 2.373 . . . . 0.0 111.724 177.665 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.249 1.027 0 O-C-N 118.622 -2.549 . . . . 0.0 115.685 -178.716 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.037 0 C-N-CA 126.648 1.979 . . . . 0.0 110.952 -178.175 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.506 -0.908 0 C-N-CA 123.413 2.742 . . . . 0.0 115.47 177.124 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 121.307 1.867 . . . . 0.0 113.436 178.018 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 125.003 1.321 . . . . 0.0 108.014 -179.97 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.856 0 C-N-CA 119.002 -1.079 . . . . 0.0 109.803 179.08 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.647 -0.658 . . . . 0.0 109.303 179.106 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-N 114.23 -1.35 . . . . 0.0 109.764 179.829 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.295 0 CA-C-N 119.578 1.081 . . . . 0.0 111.963 -177.988 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-O 117.107 -1.425 . . . . 0.0 111.838 -178.043 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 115.043 1.497 . . . . 0.0 115.043 -178.935 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.482 0 CA-C-N 114.549 -1.205 . . . . 0.0 109.13 179.772 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-O 124.899 2.285 . . . . 0.0 109.426 178.322 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.037 0 CA-C-N 112.729 -2.032 . . . . 0.0 111.29 178.774 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.76 0 CA-C-N 121.158 1.799 . . . . 0.0 112.764 179.875 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.253 1.287 0 CA-C-O 118.442 -0.79 . . . . 0.0 112.294 -176.322 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 O-C-N 124.104 0.877 . . . . 0.0 109.112 -179.349 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-O 115.238 -2.315 . . . . 0.0 110.913 -178.149 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.202 0 O-C-N 127.54 3.025 . . . . 0.0 111.068 178.951 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.294 -1.834 0 C-N-CA 127.391 2.276 . . . . 0.0 113.773 -177.17 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 126.02 2.075 . . . . 0.0 112.223 -179.964 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.255 1.413 0 CA-C-N 121.328 1.876 . . . . 0.0 114.811 179.85 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.554 0 C-N-CA 124.776 1.23 . . . . 0.0 111.409 179.56 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 178.954 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 178.22 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 O-C-N 124.836 1.335 . . . . 0.0 110.002 -178.662 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 113.68 -1.6 . . . . 0.0 111.0 178.353 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.522 0 C-N-CA 127.131 2.172 . . . . 0.0 112.585 -178.61 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 113.673 -1.603 . . . . 0.0 111.977 179.752 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-O 116.742 -1.599 . . . . 0.0 111.695 -178.308 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 126.491 2.369 . . . . 0.0 107.561 178.851 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.07 0 C-N-CA 126.412 1.885 . . . . 0.0 113.149 179.264 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.651 -179.216 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.194 0 O-C-N 124.423 1.077 . . . . 0.0 108.22 178.117 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-O 116.538 -1.696 . . . . 0.0 112.117 179.039 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.503 0 N-CA-C 115.901 1.815 . . . . 0.0 115.901 -179.761 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 O-C-N 124.479 1.112 . . . . 0.0 111.072 -177.875 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.144 0 O-C-N 125.446 1.717 . . . . 0.0 111.348 -178.641 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.047 0 C-N-CA 127.268 2.227 . . . . 0.0 107.463 179.118 . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 500' ' ' MXT . . . . . 1.055 H121 ' N ' ' A' ' 42' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 600' ' ' MXT . . . . . 0.883 H231 ' O11' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.571 ' O ' H121 ' A' ' 500' ' ' MXT . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.513 ' C ' H121 ' A' ' 500' ' ' MXT . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.752 ' H ' H122 ' A' ' 500' ' ' MXT . 1.8 m -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.317 0 O-C-N 125.664 1.852 . . . . 0.0 106.83 168.912 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.751 1 O-C-N 129.167 4.246 . . . . 0.0 107.997 -175.252 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.93 0 CA-C-N 121.038 1.744 . . . . 0.0 112.655 -178.031 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.211 0 CA-C-N 114.254 -1.339 . . . . 0.0 110.944 -177.489 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.213 0 C-N-CA 126.978 2.111 . . . . 0.0 110.247 -177.875 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.481 0 O-C-N 120.857 -1.152 . . . . 0.0 109.836 179.402 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.26 1.608 0 N-CA-C 105.953 -1.869 . . . . 0.0 105.953 -177.184 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 127.105 2.753 . . . . 0.0 107.79 179.388 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.769 0 CA-C-O 115.503 -2.189 . . . . 0.0 106.393 178.684 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.544 1 O-C-N 130.664 4.978 . . . . 0.0 106.28 177.869 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.158 0 CA-C-O 113.752 -3.023 . . . . 0.0 105.856 -179.838 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-N 121.12 1.782 . . . . 0.0 109.994 -177.787 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 125.869 1.98 . . . . 0.0 105.768 -176.598 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.377 0 O-C-N 127.497 2.998 . . . . 0.0 112.732 -176.367 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.936 0 O-C-N 127.206 2.816 . . . . 0.0 112.254 177.657 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.314 -0.954 0 O-C-N 119.079 -2.263 . . . . 0.0 111.899 -179.659 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.331 -0.206 0 O-C-N 126.625 2.453 . . . . 0.0 109.732 -174.897 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.719 0 C-N-CA 124.686 3.591 . . . . 0.0 111.901 179.756 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.869 0 CA-C-N 111.711 -2.495 . . . . 0.0 106.74 179.185 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.244 0 O-C-N 127.508 3.373 . . . . 0.0 107.888 178.997 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.329 -0.474 0 CA-C-O 116.169 -1.68 . . . . 0.0 108.319 178.844 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.428 -1.56 0 O-C-N 127.093 2.746 . . . . 0.0 112.134 179.937 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.979 0 C-N-CA 126.776 2.03 . . . . 0.0 114.926 -174.477 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.687 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 175.021 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.29 0 O-C-N 124.917 1.386 . . . . 0.0 113.654 -175.782 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.417 0 CA-C-O 117.439 -1.267 . . . . 0.0 112.783 -179.422 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.253 1.289 0 CA-C-N 121.724 2.056 . . . . 0.0 115.002 179.532 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.476 0 C-N-CA 122.203 1.935 . . . . 0.0 113.325 178.061 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.877 0 C-N-CA 129.781 3.232 . . . . 0.0 112.292 178.817 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.052 0 O-C-N 119.455 -2.028 . . . . 0.0 109.535 178.02 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.351 0 CA-C-O 115.565 -2.16 . . . . 0.0 109.175 179.745 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 127.366 2.916 . . . . 0.0 109.385 179.599 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.234 0 O-C-N 120.241 -1.537 . . . . 0.0 112.888 177.191 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 122.052 0.93 . . . . 0.0 113.302 179.041 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.306 -1.293 0 C-N-CA 126.51 1.924 . . . . 0.0 109.259 179.751 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.776 0 O-C-N 125.121 1.513 . . . . 0.0 110.228 175.892 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.161 0 C-N-CA 127.08 2.152 . . . . 0.0 114.566 178.857 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.01 0 CA-C-O 117.083 -1.954 . . . . 0.0 112.343 178.46 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 118.167 0.984 . . . . 0.0 108.496 179.288 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 176.036 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.953 0 C-N-CA 123.935 0.894 . . . . 0.0 112.873 -179.548 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.458 0 N-CA-C 114.983 1.475 . . . . 0.0 114.983 -175.567 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.071 0 C-N-CA 125.068 1.347 . . . . 0.0 108.135 175.09 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 177.252 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.934 0 CA-C-N 114.33 -1.305 . . . . 0.0 110.117 -179.907 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-O 115.974 -1.965 . . . . 0.0 112.285 178.837 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.278 -2.542 0 N-CA-C 116.571 2.063 . . . . 0.0 116.571 -174.861 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.565 0 CA-C-O 122.75 1.262 . . . . 0.0 112.271 -178.902 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 122.352 2.035 . . . . 0.0 115.151 -179.573 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 177.638 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.422 0 N-CA-C 115.191 1.552 . . . . 0.0 115.191 178.3 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.111 0 O-C-N 118.284 -2.76 . . . . 0.0 114.605 -179.061 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.311 0 N-CA-C 115.956 1.836 . . . . 0.0 115.956 179.688 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.054 0 CA-C-N 120.244 1.123 . . . . 0.0 114.866 -179.636 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.252 1.021 . . . . 0.0 112.026 179.893 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 O-C-N 125.123 1.514 . . . . 0.0 111.492 -179.742 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.255 1.368 0 N-CA-C 116.905 2.187 . . . . 0.0 116.905 179.116 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 127.654 2.381 . . . . 0.0 115.572 -178.09 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.246 0.877 0 N-CA-C 117.113 2.264 . . . . 0.0 117.113 -178.542 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.482 -2.021 0 CA-C-O 115.651 -2.749 . . . . 0.0 118.826 177.66 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.29 -1.99 0 CA-C-N 124.183 3.992 . . . . 0.0 111.371 179.701 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-O 115.655 -2.117 . . . . 0.0 106.283 177.455 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.302 -1.482 0 O-C-N 125.471 1.732 . . . . 0.0 107.647 -178.964 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.484 0 O-C-N 125.743 1.902 . . . . 0.0 111.524 -179.681 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-O 122.089 0.947 . . . . 0.0 110.757 179.419 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.25 1.081 0 N-CA-C 106.763 -1.569 . . . . 0.0 106.763 -179.892 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.266 1.964 0 O-C-N 126.059 2.099 . . . . 0.0 116.221 -179.789 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.794 0 CA-C-O 117.881 -1.057 . . . . 0.0 112.545 -178.237 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.485 1.915 0 N-CA-C 107.827 -2.109 . . . . 0.0 107.827 -178.41 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 125.32 2.486 . . . . 0.0 112.695 -177.811 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.827 0 CA-C-N 110.896 -2.866 . . . . 0.0 110.388 179.219 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -0.989 0 O-C-N 126.354 2.284 . . . . 0.0 105.427 176.595 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.385 0 N-CA-C 117.832 2.53 . . . . 0.0 117.832 -176.562 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 178.805 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 103.829 -2.656 . . . . 0.0 103.829 177.024 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 CA-C-N 111.964 -2.38 . . . . 0.0 108.038 -179.335 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.34 0 N-CA-C 118.55 2.18 . . . . 0.0 118.55 -178.252 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.243 0.712 0 O-C-N 121.506 -0.997 . . . . 0.0 112.24 -179.651 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.65 0 O-C-N 123.666 0.604 . . . . 0.0 112.592 -177.142 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.863 0 CA-C-O 124.253 1.977 . . . . 0.0 110.059 -179.806 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.878 0 CA-C-N 113.445 -1.707 . . . . 0.0 108.351 -178.355 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.462 0.423 0 CA-C-N 114.03 -1.441 . . . . 0.0 110.209 179.306 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 124.82 0.953 . . . . 0.0 109.967 179.95 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 1.008 0 CA-C-N 114.41 -1.268 . . . . 0.0 109.337 179.315 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.204 0 O-C-N 124.492 1.12 . . . . 0.0 110.149 178.876 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.858 0 N-CA-C 119.025 2.37 . . . . 0.0 119.025 -179.603 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.843 0 O-C-N 120.915 -1.344 . . . . 0.0 109.086 179.509 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 178.632 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.266 1.943 0 O-C-N 125.686 1.866 . . . . 0.0 110.212 179.14 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.357 0.599 . . . . 0.0 111.903 -179.161 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 115.691 -2.099 . . . . 0.0 108.764 -177.879 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.92 0 O-C-N 127.267 2.854 . . . . 0.0 110.332 178.75 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 117.643 -1.17 . . . . 0.0 109.537 -179.67 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 O-C-N 128.13 3.393 . . . . 0.0 112.808 -177.68 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.269 0 O-C-N 125.091 1.494 . . . . 0.0 111.716 -178.036 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 123.936 0.894 . . . . 0.0 110.175 178.25 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 118.018 2.599 . . . . 0.0 118.018 175.707 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.042 0 C-N-CA 124.081 0.952 . . . . 0.0 109.077 177.505 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 127.447 2.967 . . . . 0.0 111.366 -177.947 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 129.945 3.298 . . . . 0.0 108.994 178.301 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.246 0.876 0 O-C-N 126.823 2.577 . . . . 0.0 113.765 -178.139 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 115.297 1.591 . . . . 0.0 115.297 -178.418 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 124.749 1.281 . . . . 0.0 109.929 178.544 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 124.062 0.945 . . . . 0.0 109.225 179.026 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.89 0 C-N-CA 123.505 0.722 . . . . 0.0 112.672 -178.457 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-O 117.051 -1.452 . . . . 0.0 111.01 -177.813 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 CA-C-O 116.78 -1.581 . . . . 0.0 110.665 -176.925 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.172 0 CA-C-N 119.539 1.063 . . . . 0.0 112.858 -178.839 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 124.967 1.307 . . . . 0.0 111.655 -178.469 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 125.015 1.447 . . . . 0.0 108.244 -179.543 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 126.567 2.417 . . . . 0.0 111.634 -178.917 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 0.998 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.517 177.544 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 114.347 1.24 . . . . 0.0 114.347 -177.761 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.508 0 C-N-CA 125.648 1.579 . . . . 0.0 111.232 177.391 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 C--O 1.243 0.691 0 O-C-N 121.275 -0.891 . . . . 0.0 114.263 -179.406 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.601 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 179.237 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 119.838 -1.789 . . . . 0.0 109.636 -179.342 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.876 0 N-CA-C 116.314 1.968 . . . . 0.0 116.314 -176.929 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 125.295 1.622 . . . . 0.0 110.304 -176.642 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 112.564 -2.107 . . . . 0.0 108.295 176.073 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 N-CA-C 104.496 -2.409 . . . . 0.0 104.496 178.489 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 125.418 1.699 . . . . 0.0 108.294 -177.658 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.302 -1.315 0 O-C-N 125.917 2.011 . . . . 0.0 111.001 -175.57 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.46 0 O-C-N 126.237 2.704 . . . . 0.0 115.035 -176.473 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.259 1.574 0 O-C-N 120.399 -1.438 . . . . 0.0 113.854 177.651 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.388 0 N-CA-C 115.6 1.704 . . . . 0.0 115.6 -176.976 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.263 1.81 0 CA-C-O 115.113 -2.375 . . . . 0.0 112.772 -178.705 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.629 0 CA-C-N 120.935 1.698 . . . . 0.0 114.825 -177.974 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.311 -1.072 0 C-N-CA 127.057 2.143 . . . . 0.0 111.182 -179.532 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 O-C-N 126.208 2.192 . . . . 0.0 110.481 -179.737 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 107.029 -1.471 . . . . 0.0 107.029 177.893 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.717 0 C-N-CA 126.546 1.938 . . . . 0.0 112.648 178.995 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.167 0 CA-C-N 113.169 -1.832 . . . . 0.0 111.445 -177.706 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.11 0 C-N-CA 123.801 0.84 . . . . 0.0 113.156 -179.094 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 N-CA-C 104.154 -2.535 . . . . 0.0 104.154 177.422 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 104.836 -2.283 . . . . 0.0 104.836 178.637 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 128.462 3.602 . . . . 0.0 117.027 -175.639 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.343 0 N-CA-C 105.338 -3.105 . . . . 0.0 105.338 177.04 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.273 2.327 0 O-C-N 128.574 3.161 . . . . 0.0 106.494 179.798 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.847 0 C-N-CA 118.92 -1.112 . . . . 0.0 112.715 -177.621 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.764 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 177.565 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.823 0 CA-C-O 122.47 1.128 . . . . 0.0 108.089 176.456 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.313 0 C-N-CA 121.517 1.478 . . . . 0.0 111.895 -179.705 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 177.037 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 105.363 -2.088 . . . . 0.0 105.363 177.52 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 122.827 1.298 . . . . 0.0 110.132 -176.887 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.179 0 CA-C-N 112.692 -2.049 . . . . 0.0 112.797 179.067 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.223 0 CA-C-N 118.164 0.982 . . . . 0.0 110.758 179.706 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.453 -0.906 0 O-C-N 123.459 1.242 . . . . 0.0 111.634 177.048 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 103.212 -2.884 . . . . 0.0 103.212 178.589 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.335 0 O-C-N 126.853 2.595 . . . . 0.0 112.277 -178.847 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.44 -1.675 0 N-CA-C 107.575 -1.74 . . . . 0.0 107.575 -179.972 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.972 0 O-C-N 128.125 3.391 . . . . 0.0 103.038 179.87 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.996 0 CA-C-O 115.981 -1.961 . . . . 0.0 108.792 179.522 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.544 1.844 0 N-CA-C 104.055 -3.618 . . . . 0.0 104.055 -179.236 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.533 0 CA-C-O 115.691 -2.1 . . . . 0.0 109.489 -178.484 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.717 0 N-CA-C 103.725 -2.694 . . . . 0.0 103.725 -178.44 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.074 0 O-C-N 127.781 3.176 . . . . 0.0 113.529 -179.446 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 106.332 -1.729 . . . . 0.0 106.332 -177.519 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.948 0 O-C-N 126.292 2.245 . . . . 0.0 107.597 -179.558 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.036 -2.45 . . . . 0.0 110.271 -177.552 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.311 0 N-CA-C 100.59 -3.856 . . . . 0.0 100.59 -177.041 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.291 0 CA-C-O 115.24 -2.067 . . . . 0.0 112.08 179.01 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.272 -2.8 0 CA-C-N 120.748 1.613 . . . . 0.0 109.567 177.838 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.405 0 CA-C-N 112.858 -1.974 . . . . 0.0 110.573 178.276 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.309 0 O-C-N 120.954 -1.091 . . . . 0.0 110.38 178.592 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.139 0 O-C-N 125.782 1.926 . . . . 0.0 110.241 -178.357 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.101 0 O-C-N 127.018 2.699 . . . . 0.0 107.041 178.95 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.611 0 CA-C-O 122.243 1.02 . . . . 0.0 112.906 177.916 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.914 0 O-C-N 117.393 -3.317 . . . . 0.0 114.616 179.663 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.814 0 O-C-N 125.585 1.803 . . . . 0.0 108.155 179.477 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.579 1 O-C-N 129.254 4.097 . . . . 0.0 109.741 179.225 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 120.02 -1.675 . . . . 0.0 111.864 179.109 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.302 -1.469 0 C-N-CA 125.099 1.36 . . . . 0.0 112.784 178.698 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.061 0 C-N-CA 128.003 2.716 . . . . 0.0 114.286 -179.442 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.255 0 C-N-CA 128.276 2.63 . . . . 0.0 111.47 -178.523 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 C-N-CA 117.591 -1.643 . . . . 0.0 107.393 -179.771 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.097 0 CA-C-O 117.282 -1.342 . . . . 0.0 109.022 -179.924 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 N--CA 1.49 1.316 0 C-N-CA 122.852 2.368 . . . . 0.0 111.715 176.781 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.249 1.029 0 O-C-N 118.636 -2.54 . . . . 0.0 115.691 -177.149 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.313 -0.997 0 C-N-CA 126.596 1.958 . . . . 0.0 110.969 176.155 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.506 -0.908 0 C-N-CA 123.41 2.74 . . . . 0.0 115.499 178.013 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 121.305 1.866 . . . . 0.0 113.416 177.981 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 124.982 1.313 . . . . 0.0 108.028 -179.993 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.862 0 C-N-CA 119.035 -1.066 . . . . 0.0 109.706 179.11 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.62 -0.675 . . . . 0.0 109.317 179.106 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 114.238 -1.347 . . . . 0.0 109.745 179.834 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-N 119.593 1.088 . . . . 0.0 111.929 -177.984 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-O 117.12 -1.419 . . . . 0.0 111.881 -178.028 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 115.007 1.484 . . . . 0.0 115.007 -178.92 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.448 0 CA-C-N 114.548 -1.206 . . . . 0.0 109.149 179.812 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 124.892 2.282 . . . . 0.0 109.47 178.311 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.043 0 CA-C-N 112.707 -2.042 . . . . 0.0 111.318 178.71 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.295 -1.77 0 CA-C-N 121.184 1.811 . . . . 0.0 112.73 179.851 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.307 0 CA-C-O 118.426 -0.797 . . . . 0.0 112.219 -176.265 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 O-C-N 124.089 0.868 . . . . 0.0 109.149 -179.307 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-O 115.219 -2.324 . . . . 0.0 110.88 -178.111 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 127.589 3.056 . . . . 0.0 111.033 178.974 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.804 0 C-N-CA 127.4 2.28 . . . . 0.0 113.737 -177.118 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 126.019 2.074 . . . . 0.0 112.181 -179.9 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.255 1.418 0 CA-C-N 121.324 1.874 . . . . 0.0 114.797 179.8 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.258 1.522 0 C-N-CA 124.821 1.249 . . . . 0.0 111.446 179.523 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 178.98 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 107.289 -1.375 . . . . 0.0 107.289 178.162 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 O-C-N 124.819 1.324 . . . . 0.0 110.011 -178.628 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 113.661 -1.608 . . . . 0.0 111.018 178.336 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.525 0 C-N-CA 127.134 2.174 . . . . 0.0 112.514 -178.533 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 113.681 -1.599 . . . . 0.0 111.956 179.785 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.241 0.652 0 CA-C-O 116.777 -1.582 . . . . 0.0 111.679 -178.259 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 126.54 2.4 . . . . 0.0 107.555 178.863 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.063 0 C-N-CA 126.442 1.897 . . . . 0.0 113.15 179.255 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.616 -179.191 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-O 122.328 1.061 . . . . 0.0 108.252 178.118 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-O 116.562 -1.685 . . . . 0.0 112.1 179.027 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.534 0 N-CA-C 115.883 1.809 . . . . 0.0 115.883 -179.71 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 O-C-N 124.449 1.093 . . . . 0.0 111.141 -177.967 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.117 0 O-C-N 125.491 1.745 . . . . 0.0 111.381 -178.63 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.044 0 C-N-CA 127.268 2.227 . . . . 0.0 107.469 179.102 . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 500' ' ' MXT . . . . . 0.896 H231 ' O11' ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 600' ' ' MXT . . . . . 0.749 H231 ' O12' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.32 0 O-C-N 125.664 1.852 . . . . 0.0 106.85 174.201 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.731 1 O-C-N 129.197 4.262 . . . . 0.0 107.991 -178.177 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.929 0 CA-C-N 121.037 1.744 . . . . 0.0 112.638 -178.095 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.188 0 CA-C-N 114.222 -1.354 . . . . 0.0 110.898 -179.545 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 C-N-CA 126.955 2.102 . . . . 0.0 110.23 -178.357 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.468 0 O-C-N 120.901 -1.125 . . . . 0.0 109.818 179.866 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.26 1.61 0 N-CA-C 105.957 -1.868 . . . . 0.0 105.957 -177.642 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 127.108 2.755 . . . . 0.0 107.804 -179.82 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.778 0 CA-C-O 115.439 -2.219 . . . . 0.0 106.459 176.432 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.562 1 O-C-N 130.646 4.966 . . . . 0.0 106.327 179.178 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.145 0 CA-C-O 113.764 -3.017 . . . . 0.0 105.815 -179.795 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.459 0 CA-C-N 121.095 1.77 . . . . 0.0 110.006 -177.777 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.803 0 O-C-N 125.892 1.995 . . . . 0.0 105.801 -176.623 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.361 0 O-C-N 127.501 3.001 . . . . 0.0 112.731 -176.36 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.265 1.907 0 O-C-N 127.234 2.834 . . . . 0.0 112.306 177.588 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.916 0 O-C-N 119.086 -2.259 . . . . 0.0 111.931 -179.646 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.331 -0.198 0 O-C-N 126.612 2.445 . . . . 0.0 109.705 -174.855 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.753 0 C-N-CA 124.657 3.571 . . . . 0.0 111.96 179.704 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.872 0 CA-C-N 111.728 -2.487 . . . . 0.0 106.757 179.13 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.247 0 O-C-N 127.506 3.371 . . . . 0.0 107.922 178.939 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.502 0 C-N-CA 121.886 1.724 . . . . 0.0 108.316 178.837 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.583 0 O-C-N 127.057 2.723 . . . . 0.0 112.129 179.98 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.291 -1.976 0 C-N-CA 126.755 2.022 . . . . 0.0 114.902 -174.454 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.695 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 175.021 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 124.86 1.35 . . . . 0.0 113.677 -175.818 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.439 0 CA-C-O 117.399 -1.286 . . . . 0.0 112.763 -179.417 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.253 1.267 0 CA-C-N 121.763 2.074 . . . . 0.0 114.947 179.563 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.449 0 C-N-CA 122.167 1.911 . . . . 0.0 113.334 178.11 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.293 -1.883 0 C-N-CA 129.838 3.255 . . . . 0.0 112.24 178.832 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.058 0 O-C-N 119.467 -2.021 . . . . 0.0 109.537 177.986 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.328 0 CA-C-O 115.552 -2.166 . . . . 0.0 109.219 179.716 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 127.362 2.913 . . . . 0.0 109.394 179.593 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.213 0 O-C-N 120.289 -1.507 . . . . 0.0 112.937 177.141 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 122.024 0.916 . . . . 0.0 113.363 179.006 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.241 0 C-N-CA 126.442 1.897 . . . . 0.0 109.267 179.721 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.802 0 O-C-N 125.132 1.52 . . . . 0.0 110.237 175.855 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.159 0 C-N-CA 127.096 2.158 . . . . 0.0 114.636 178.798 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.547 2.046 0 CA-C-O 117.045 -1.975 . . . . 0.0 112.322 178.442 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.457 0 CA-C-N 118.143 0.972 . . . . 0.0 108.506 179.23 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 107.25 -1.389 . . . . 0.0 107.25 176.078 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.957 0 C-N-CA 123.983 0.913 . . . . 0.0 112.85 -179.56 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.485 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 -175.553 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.082 0 C-N-CA 125.01 1.324 . . . . 0.0 108.104 175.058 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 177.25 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.956 0 CA-C-N 114.312 -1.313 . . . . 0.0 110.106 -179.909 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-O 115.98 -1.962 . . . . 0.0 112.344 178.793 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.559 0 N-CA-C 116.554 2.057 . . . . 0.0 116.554 -174.923 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.599 0 CA-C-O 122.733 1.254 . . . . 0.0 112.304 -178.933 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 122.388 2.059 . . . . 0.0 115.107 -179.538 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 177.6 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.415 0 N-CA-C 115.19 1.552 . . . . 0.0 115.19 178.32 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.101 0 O-C-N 118.305 -2.747 . . . . 0.0 114.605 -179.035 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.299 0 N-CA-C 115.965 1.839 . . . . 0.0 115.965 179.712 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.502 -1.075 0 CA-C-N 120.263 1.13 . . . . 0.0 114.887 -179.598 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.305 1.042 . . . . 0.0 112.06 179.839 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 O-C-N 125.061 1.476 . . . . 0.0 111.506 -179.808 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.255 1.342 0 N-CA-C 116.891 2.182 . . . . 0.0 116.891 179.144 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 127.626 2.37 . . . . 0.0 115.585 -178.039 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.246 0.879 0 N-CA-C 117.131 2.271 . . . . 0.0 117.131 -178.567 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.041 0 CA-C-O 115.694 -2.726 . . . . 0.0 118.875 177.702 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.948 0 CA-C-N 124.172 3.986 . . . . 0.0 111.345 179.737 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-O 115.578 -2.154 . . . . 0.0 106.273 177.478 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.541 0 O-C-N 125.52 1.763 . . . . 0.0 107.636 -178.962 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.462 0 O-C-N 125.748 1.905 . . . . 0.0 111.516 -179.691 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-O 122.134 0.969 . . . . 0.0 110.698 179.484 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.248 1.012 0 N-CA-C 106.729 -1.582 . . . . 0.0 106.729 -179.874 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 1.98 0 O-C-N 126.097 2.123 . . . . 0.0 116.179 -179.836 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.264 1.825 0 CA-C-O 117.927 -1.035 . . . . 0.0 112.579 -178.26 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.485 1.966 0 N-CA-C 107.815 -2.114 . . . . 0.0 107.815 -178.37 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 125.359 2.504 . . . . 0.0 112.671 -177.872 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.246 0.883 0 CA-C-N 110.874 -2.876 . . . . 0.0 110.407 179.196 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -0.981 0 O-C-N 126.363 2.29 . . . . 0.0 105.451 176.562 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.405 0 N-CA-C 117.764 2.505 . . . . 0.0 117.764 -176.533 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 178.809 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 103.811 -2.663 . . . . 0.0 103.811 177.05 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 CA-C-N 111.978 -2.374 . . . . 0.0 108.02 -179.307 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.252 1.268 0 N-CA-C 118.552 2.181 . . . . 0.0 118.552 -178.233 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.659 0 O-C-N 121.503 -0.998 . . . . 0.0 112.269 -179.635 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.639 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -177.173 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.495 1.803 0 CA-C-O 124.213 1.959 . . . . 0.0 110.076 -179.79 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.914 0 CA-C-N 113.429 -1.714 . . . . 0.0 108.352 -178.406 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.463 0.495 0 CA-C-N 114.076 -1.42 . . . . 0.0 110.172 179.306 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 124.775 0.926 . . . . 0.0 110.005 179.975 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.247 0.965 0 CA-C-N 114.366 -1.288 . . . . 0.0 109.395 179.249 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.484 1.236 0 O-C-N 124.536 1.147 . . . . 0.0 110.197 178.851 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.841 0 N-CA-C 119.002 2.361 . . . . 0.0 119.002 -179.639 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.212 -0.875 0 O-C-N 120.866 -1.373 . . . . 0.0 109.095 179.517 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 107.092 -1.448 . . . . 0.0 107.092 178.608 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.264 1.852 0 O-C-N 125.71 1.882 . . . . 0.0 110.268 179.144 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.313 0.577 . . . . 0.0 111.886 -179.191 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 115.707 -2.092 . . . . 0.0 108.807 -177.905 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.928 0 O-C-N 127.302 2.877 . . . . 0.0 110.367 178.7 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-O 117.685 -1.15 . . . . 0.0 109.564 -179.681 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 O-C-N 128.083 3.364 . . . . 0.0 112.833 -177.734 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.262 0 O-C-N 125.066 1.479 . . . . 0.0 111.721 -178.072 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 123.875 0.87 . . . . 0.0 110.197 178.26 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 118.029 2.603 . . . . 0.0 118.029 175.667 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.057 0 C-N-CA 124.11 0.964 . . . . 0.0 109.088 177.544 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 127.417 2.948 . . . . 0.0 111.332 -177.914 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.305 -1.354 0 C-N-CA 129.962 3.305 . . . . 0.0 108.972 178.303 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.929 0 O-C-N 126.792 2.558 . . . . 0.0 113.77 -178.128 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 115.25 1.574 . . . . 0.0 115.25 -178.404 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 124.682 1.238 . . . . 0.0 109.95 178.501 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.378 0 C-N-CA 124.045 0.938 . . . . 0.0 109.152 179.057 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.89 0 C-N-CA 123.47 0.708 . . . . 0.0 112.744 -178.509 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-O 116.978 -1.487 . . . . 0.0 110.958 -177.817 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 CA-C-O 116.754 -1.594 . . . . 0.0 110.664 -176.938 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.149 0 CA-C-N 119.623 1.101 . . . . 0.0 112.867 -178.884 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 124.905 1.282 . . . . 0.0 111.707 -178.507 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 125.016 1.448 . . . . 0.0 108.284 -179.569 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 126.525 2.391 . . . . 0.0 111.617 -178.933 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 0.987 0 C-N-CA 120.137 -0.625 . . . . 0.0 110.527 177.576 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 114.29 1.219 . . . . 0.0 114.29 -177.792 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.512 0 C-N-CA 125.675 1.59 . . . . 0.0 111.245 177.378 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.466 0.669 0 O-C-N 121.316 -0.865 . . . . 0.0 114.252 -179.423 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.614 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 179.201 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.32 -0.675 0 O-C-N 119.849 -1.782 . . . . 0.0 109.636 -179.354 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 116.361 1.985 . . . . 0.0 116.361 -176.959 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.306 -1.326 0 O-C-N 125.262 1.601 . . . . 0.0 110.348 -176.687 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 112.561 -2.109 . . . . 0.0 108.339 176.039 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 N-CA-C 104.46 -2.422 . . . . 0.0 104.46 178.511 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 125.371 1.669 . . . . 0.0 108.275 -177.674 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.304 -1.232 0 O-C-N 125.84 1.962 . . . . 0.0 110.982 -175.558 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.474 -2.489 0 O-C-N 126.241 2.706 . . . . 0.0 115.072 -176.518 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.545 0 O-C-N 120.409 -1.432 . . . . 0.0 113.817 177.671 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.362 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 -176.989 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.263 1.804 0 CA-C-O 115.092 -2.385 . . . . 0.0 112.805 -178.727 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.644 0 CA-C-N 120.873 1.67 . . . . 0.0 114.797 -178.003 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.311 -1.096 0 C-N-CA 127.074 2.15 . . . . 0.0 111.204 -179.556 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 O-C-N 126.254 2.221 . . . . 0.0 110.484 -179.747 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 125.372 1.469 . . . . 0.0 107.052 177.879 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.261 1.698 0 C-N-CA 126.575 1.95 . . . . 0.0 112.573 179.049 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.179 0 CA-C-N 113.231 -1.804 . . . . 0.0 111.382 -177.661 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.149 0 C-N-CA 123.818 0.847 . . . . 0.0 113.171 -179.089 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 104.194 -2.521 . . . . 0.0 104.194 177.425 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 104.842 -2.281 . . . . 0.0 104.842 178.653 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 128.491 3.62 . . . . 0.0 116.996 -175.605 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.305 0 N-CA-C 105.327 -3.109 . . . . 0.0 105.327 177.066 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.387 0 O-C-N 128.451 3.089 . . . . 0.0 106.512 179.776 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.244 0.793 0 C-N-CA 118.956 -1.098 . . . . 0.0 112.68 -177.622 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.726 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 177.562 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.833 0 CA-C-O 122.44 1.114 . . . . 0.0 108.083 176.442 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.297 0 C-N-CA 121.506 1.471 . . . . 0.0 111.88 -179.727 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 176.966 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 105.365 -2.087 . . . . 0.0 105.365 177.52 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 122.788 1.28 . . . . 0.0 110.127 -176.875 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.25 1.135 0 CA-C-N 112.681 -2.054 . . . . 0.0 112.768 -178.621 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.229 0 CA-C-N 118.162 0.981 . . . . 0.0 110.771 -179.547 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.922 0 O-C-N 123.478 1.252 . . . . 0.0 111.653 177.174 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 103.142 -2.91 . . . . 0.0 103.142 178.475 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.306 -1.319 0 O-C-N 126.887 2.617 . . . . 0.0 112.241 -178.901 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.44 -1.666 0 N-CA-C 107.55 -1.75 . . . . 0.0 107.55 -179.761 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.29 -1.986 0 O-C-N 128.122 3.389 . . . . 0.0 102.995 179.508 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.979 0 CA-C-O 115.955 -1.974 . . . . 0.0 108.836 -177.738 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 C--N 1.293 -1.837 0 N-CA-C 104.086 -3.606 . . . . 0.0 104.086 179.307 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.529 0 CA-C-O 115.698 -2.096 . . . . 0.0 109.491 -178.457 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.72 0 N-CA-C 103.724 -2.695 . . . . 0.0 103.724 -178.714 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.498 -1.053 0 O-C-N 127.733 3.146 . . . . 0.0 113.528 -176.879 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 -178.773 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.501 2.979 0 O-C-N 126.292 2.245 . . . . 0.0 107.61 -178.728 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.954 -1.909 . . . . 0.0 110.271 -177.593 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.323 0 N-CA-C 100.621 -3.844 . . . . 0.0 100.621 -178.996 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.303 0 CA-C-O 115.224 -2.073 . . . . 0.0 112.121 179.551 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.805 0 CA-C-N 120.701 1.592 . . . . 0.0 109.559 177.794 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.276 2.456 0 CA-C-N 112.853 -1.976 . . . . 0.0 110.6 178.296 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.317 0 O-C-N 120.927 -1.108 . . . . 0.0 110.444 178.555 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.157 0 O-C-N 125.819 1.949 . . . . 0.0 110.27 -178.336 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.078 0 O-C-N 126.996 2.685 . . . . 0.0 107.048 178.944 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.484 -1.583 0 CA-C-O 122.158 0.98 . . . . 0.0 112.893 177.867 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.899 0 O-C-N 117.516 -3.24 . . . . 0.0 114.614 179.661 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.804 0 O-C-N 125.635 1.834 . . . . 0.0 108.127 179.525 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.299 -1.606 1 O-C-N 129.249 4.093 . . . . 0.0 109.767 179.184 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 120.11 -1.619 . . . . 0.0 111.829 179.053 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 125.175 1.39 . . . . 0.0 112.795 178.724 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.035 0 C-N-CA 128.057 2.741 . . . . 0.0 114.327 -178.561 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.271 2.23 0 C-N-CA 128.268 2.627 . . . . 0.0 111.557 -178.639 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 C-N-CA 117.566 -1.653 . . . . 0.0 107.41 179.451 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.098 0 CA-C-O 117.309 -1.329 . . . . 0.0 109.018 -179.906 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 N--CA 1.491 1.333 0 C-N-CA 122.853 2.369 . . . . 0.0 111.764 -179.333 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.249 1.038 0 O-C-N 118.604 -2.56 . . . . 0.0 115.701 -176.772 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.036 0 C-N-CA 126.627 1.971 . . . . 0.0 110.902 -178.686 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.952 0 C-N-CA 123.462 2.775 . . . . 0.0 115.454 178.504 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.684 0 CA-C-N 121.342 1.883 . . . . 0.0 113.454 177.987 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 124.964 1.306 . . . . 0.0 108.027 -179.981 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.827 0 C-N-CA 119.061 -1.056 . . . . 0.0 109.75 179.108 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.595 -0.691 . . . . 0.0 109.351 179.097 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 114.201 -1.363 . . . . 0.0 109.723 179.831 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-N 119.592 1.087 . . . . 0.0 111.972 -177.955 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.025 0 CA-C-O 117.118 -1.42 . . . . 0.0 111.851 -177.979 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 -178.949 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.472 0 CA-C-N 114.564 -1.198 . . . . 0.0 109.098 179.791 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-O 124.916 2.294 . . . . 0.0 109.445 178.34 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.056 0 CA-C-N 112.711 -2.04 . . . . 0.0 111.274 178.762 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 121.169 1.804 . . . . 0.0 112.742 179.889 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.337 0 CA-C-O 118.431 -0.795 . . . . 0.0 112.235 -176.254 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 O-C-N 124.053 0.845 . . . . 0.0 109.099 -179.301 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-O 115.231 -2.318 . . . . 0.0 110.893 -178.171 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.215 0 O-C-N 127.567 3.042 . . . . 0.0 111.049 178.975 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.803 0 C-N-CA 127.395 2.278 . . . . 0.0 113.762 -177.167 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 126.009 2.068 . . . . 0.0 112.164 -179.867 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.401 0 CA-C-N 121.352 1.887 . . . . 0.0 114.805 179.837 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.579 0 C-N-CA 124.786 1.235 . . . . 0.0 111.416 179.59 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 178.94 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 178.222 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.963 0 O-C-N 124.821 1.325 . . . . 0.0 109.991 -178.593 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 113.638 -1.619 . . . . 0.0 111.088 178.297 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 127.152 2.181 . . . . 0.0 112.555 -178.599 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 113.702 -1.59 . . . . 0.0 111.939 179.807 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-O 116.771 -1.585 . . . . 0.0 111.715 -178.312 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 126.494 2.371 . . . . 0.0 107.534 178.882 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 C--N 1.312 -1.044 0 C-N-CA 126.404 1.882 . . . . 0.0 113.168 179.207 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.668 -179.214 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.177 0 O-C-N 124.435 1.084 . . . . 0.0 108.241 178.122 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 116.528 -1.701 . . . . 0.0 112.091 179.025 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.257 1.478 0 N-CA-C 115.897 1.814 . . . . 0.0 115.897 -179.712 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 O-C-N 124.533 1.145 . . . . 0.0 111.125 -177.907 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.311 -1.104 0 O-C-N 125.442 1.714 . . . . 0.0 111.355 -178.662 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.043 0 C-N-CA 127.306 2.243 . . . . 0.0 107.432 179.128 . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 500' ' ' MXT . . . . . 0.615 H221 ' O11' ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 600' ' ' MXT . . . . . 0.684 ' O12' H231 ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.754 ' H ' ' C11' ' A' ' 500' ' ' MXT . 0.0 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 1.173 ' N ' H121 ' A' ' 500' ' ' MXT . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.322 0 O-C-N 125.664 1.852 . . . . 0.0 106.872 171.18 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.77 1 O-C-N 129.165 4.245 . . . . 0.0 107.989 -176.609 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.929 0 CA-C-N 121.019 1.736 . . . . 0.0 112.64 -178.299 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.502 2.152 0 CA-C-N 114.245 -1.343 . . . . 0.0 110.916 -178.299 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.164 0 C-N-CA 127.013 2.125 . . . . 0.0 110.266 -177.767 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.454 0 O-C-N 120.873 -1.142 . . . . 0.0 109.868 178.793 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.583 0 N-CA-C 105.899 -1.889 . . . . 0.0 105.899 -177.562 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 127.139 2.774 . . . . 0.0 107.852 179.54 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.765 0 CA-C-O 115.434 -2.222 . . . . 0.0 106.468 177.766 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.555 1 O-C-N 130.64 4.962 . . . . 0.0 106.284 177.972 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.146 0 CA-C-O 113.704 -3.046 . . . . 0.0 105.884 -179.827 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.487 1.409 0 CA-C-N 121.165 1.802 . . . . 0.0 110.072 -177.783 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.783 0 O-C-N 125.924 2.015 . . . . 0.0 105.811 -176.636 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.254 1.311 0 O-C-N 127.537 3.023 . . . . 0.0 112.785 -176.367 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.267 1.983 0 O-C-N 127.245 2.841 . . . . 0.0 112.259 177.621 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 122.145 2.248 . . . . 0.0 111.907 -179.653 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--O 1.225 -0.211 0 O-C-N 126.631 2.457 . . . . 0.0 109.684 -174.85 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.713 0 C-N-CA 124.658 3.572 . . . . 0.0 111.946 179.706 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.852 0 CA-C-N 111.701 -2.5 . . . . 0.0 106.775 179.173 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.248 0 O-C-N 127.486 3.361 . . . . 0.0 107.907 179.003 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.502 0 C-N-CA 121.887 1.725 . . . . 0.0 108.314 178.88 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.594 0 O-C-N 127.071 2.732 . . . . 0.0 112.16 179.955 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -2.018 0 C-N-CA 126.789 2.036 . . . . 0.0 114.963 -174.495 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.57 1.717 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 175.02 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 124.907 1.379 . . . . 0.0 113.636 -175.795 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.407 0 CA-C-O 117.43 -1.271 . . . . 0.0 112.786 -179.406 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.253 1.248 0 CA-C-N 121.77 2.077 . . . . 0.0 114.952 179.62 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.311 -1.446 0 C-N-CA 122.177 1.918 . . . . 0.0 113.321 178.058 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.293 -1.88 0 C-N-CA 129.785 3.234 . . . . 0.0 112.252 178.898 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.041 0 O-C-N 119.455 -2.028 . . . . 0.0 109.539 178.006 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.559 1.301 0 CA-C-O 115.576 -2.154 . . . . 0.0 109.26 179.685 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 127.368 2.917 . . . . 0.0 109.387 179.601 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.217 0 O-C-N 120.314 -1.491 . . . . 0.0 112.922 177.125 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-O 122.029 0.918 . . . . 0.0 113.357 179.015 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.262 0 C-N-CA 126.511 1.924 . . . . 0.0 109.278 179.66 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.802 0 O-C-N 125.11 1.506 . . . . 0.0 110.262 175.867 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.144 0 C-N-CA 127.047 2.139 . . . . 0.0 114.614 178.781 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.022 0 CA-C-O 117.077 -1.957 . . . . 0.0 112.374 178.479 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 118.119 0.96 . . . . 0.0 108.503 179.262 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 176.112 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.935 0 C-N-CA 123.92 0.888 . . . . 0.0 112.88 -179.497 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.484 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 -175.535 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.31 -1.11 0 C-N-CA 125.029 1.332 . . . . 0.0 108.052 175.105 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 177.236 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.212 -0.908 0 CA-C-N 114.282 -1.327 . . . . 0.0 110.108 -179.918 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-O 115.953 -1.975 . . . . 0.0 112.331 178.801 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.558 0 C-N-CA 126.84 2.056 . . . . 0.0 116.549 -174.877 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.591 0 CA-C-O 122.724 1.249 . . . . 0.0 112.286 -178.915 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 122.404 2.069 . . . . 0.0 115.132 -179.542 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 107.478 -1.304 . . . . 0.0 107.478 177.633 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.443 0 N-CA-C 115.213 1.56 . . . . 0.0 115.213 178.311 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.121 0 O-C-N 118.35 -2.719 . . . . 0.0 114.656 -179.121 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.305 0 N-CA-C 115.997 1.851 . . . . 0.0 115.997 179.686 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.06 0 CA-C-N 120.254 1.126 . . . . 0.0 114.908 -179.657 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.263 1.025 . . . . 0.0 112.069 179.802 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 O-C-N 125.133 1.521 . . . . 0.0 111.458 -179.779 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.333 0 N-CA-C 116.885 2.18 . . . . 0.0 116.885 179.135 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 127.687 2.395 . . . . 0.0 115.528 -178.065 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.246 0.908 0 N-CA-C 117.094 2.257 . . . . 0.0 117.094 -178.54 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.482 -2.016 0 CA-C-O 115.663 -2.743 . . . . 0.0 118.849 177.648 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.96 0 CA-C-N 124.188 3.994 . . . . 0.0 111.394 179.685 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-O 115.661 -2.114 . . . . 0.0 106.268 177.505 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.302 -1.481 0 O-C-N 125.467 1.729 . . . . 0.0 107.628 -178.963 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.481 0 O-C-N 125.815 1.947 . . . . 0.0 111.504 -179.661 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-O 122.11 0.957 . . . . 0.0 110.707 179.447 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.057 0 N-CA-C 106.746 -1.576 . . . . 0.0 106.746 -179.895 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 2.0 0 O-C-N 126.005 2.065 . . . . 0.0 116.189 -179.8 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.792 0 CA-C-O 117.9 -1.047 . . . . 0.0 112.598 -178.267 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.485 1.936 0 N-CA-C 107.799 -2.121 . . . . 0.0 107.799 -178.396 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 125.307 2.48 . . . . 0.0 112.689 -177.851 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.246 0.882 0 CA-C-N 110.889 -2.868 . . . . 0.0 110.42 179.184 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -0.991 0 O-C-N 126.386 2.304 . . . . 0.0 105.384 176.656 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.417 0 N-CA-C 117.791 2.515 . . . . 0.0 117.791 -176.557 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.762 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 103.844 -2.651 . . . . 0.0 103.844 177.064 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 CA-C-N 112.033 -2.349 . . . . 0.0 108.003 -179.307 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.324 0 N-CA-C 118.561 2.184 . . . . 0.0 118.561 -178.272 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.243 0.724 0 O-C-N 121.461 -1.023 . . . . 0.0 112.239 -179.671 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.669 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -177.185 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.852 0 CA-C-O 124.215 1.96 . . . . 0.0 110.072 -179.821 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.916 0 CA-C-N 113.441 -1.709 . . . . 0.0 108.36 -178.35 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 C--N 1.318 -0.445 0 CA-C-N 114.051 -1.432 . . . . 0.0 110.205 179.277 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 124.873 0.984 . . . . 0.0 110.047 179.891 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.996 0 CA-C-N 114.358 -1.292 . . . . 0.0 109.365 179.312 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.484 1.238 0 O-C-N 124.504 1.128 . . . . 0.0 110.179 178.852 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.837 0 N-CA-C 119.098 2.399 . . . . 0.0 119.098 -179.687 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.822 0 O-C-N 120.894 -1.356 . . . . 0.0 109.08 179.509 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.307 -1.282 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 178.586 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.266 1.944 0 O-C-N 125.684 1.865 . . . . 0.0 110.228 179.121 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.388 0.613 . . . . 0.0 111.875 -179.135 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 115.7 -2.095 . . . . 0.0 108.781 -177.874 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.902 0 O-C-N 127.249 2.843 . . . . 0.0 110.372 178.74 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 117.717 -1.135 . . . . 0.0 109.596 -179.733 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 O-C-N 128.109 3.381 . . . . 0.0 112.856 -177.709 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.258 0 O-C-N 125.056 1.472 . . . . 0.0 111.769 -178.127 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 123.881 0.873 . . . . 0.0 110.246 178.214 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 118.03 2.604 . . . . 0.0 118.03 175.699 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.039 0 C-N-CA 124.06 0.944 . . . . 0.0 109.071 177.545 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 127.426 2.954 . . . . 0.0 111.365 -177.951 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.305 -1.362 0 C-N-CA 130.006 3.322 . . . . 0.0 108.973 178.326 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.934 0 O-C-N 126.725 2.516 . . . . 0.0 113.771 -178.142 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 115.284 1.586 . . . . 0.0 115.284 -178.408 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 124.709 1.256 . . . . 0.0 109.943 178.545 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.303 -1.433 0 C-N-CA 124.037 0.935 . . . . 0.0 109.196 179.029 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 123.482 0.713 . . . . 0.0 112.726 -178.498 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-O 117.026 -1.464 . . . . 0.0 110.957 -177.806 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 CA-C-O 116.745 -1.597 . . . . 0.0 110.694 -176.946 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.252 1.205 0 CA-C-N 119.607 1.094 . . . . 0.0 112.866 -178.892 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 124.966 1.306 . . . . 0.0 111.653 -178.456 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 124.998 1.436 . . . . 0.0 108.297 -179.553 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 126.523 2.389 . . . . 0.0 111.572 -178.924 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.249 1.035 0 C-N-CA 120.149 -0.621 . . . . 0.0 110.488 177.634 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 -177.751 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.503 0 C-N-CA 125.69 1.596 . . . . 0.0 111.233 177.392 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 C--O 1.243 0.692 0 O-C-N 121.293 -0.879 . . . . 0.0 114.259 -179.381 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.605 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 179.231 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.654 0 O-C-N 119.86 -1.775 . . . . 0.0 109.689 -179.313 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 116.352 1.982 . . . . 0.0 116.352 -176.917 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 125.238 1.586 . . . . 0.0 110.318 -176.647 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 112.547 -2.115 . . . . 0.0 108.312 176.027 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 N-CA-C 104.52 -2.4 . . . . 0.0 104.52 178.505 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 125.435 1.709 . . . . 0.0 108.313 -177.694 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.279 0 O-C-N 125.841 1.963 . . . . 0.0 110.96 -175.513 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.474 -2.491 0 O-C-N 126.334 2.755 . . . . 0.0 115.1 -176.557 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.55 0 O-C-N 120.385 -1.447 . . . . 0.0 113.796 177.677 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.378 0 N-CA-C 115.601 1.704 . . . . 0.0 115.601 -176.973 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.263 1.81 0 CA-C-O 115.093 -2.384 . . . . 0.0 112.799 -178.708 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.649 0 CA-C-N 120.931 1.696 . . . . 0.0 114.821 -178.014 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.311 -1.072 0 C-N-CA 127.038 2.135 . . . . 0.0 111.18 -179.546 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 O-C-N 126.279 2.237 . . . . 0.0 110.436 -179.71 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 125.367 1.467 . . . . 0.0 107.045 177.927 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.74 0 C-N-CA 126.629 1.972 . . . . 0.0 112.551 179.041 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.183 0 CA-C-N 113.195 -1.82 . . . . 0.0 111.405 -177.685 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.309 -1.181 0 C-N-CA 123.87 0.868 . . . . 0.0 113.118 -179.11 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 104.168 -2.531 . . . . 0.0 104.168 177.439 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 104.781 -2.303 . . . . 0.0 104.781 178.709 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 128.493 3.62 . . . . 0.0 117.019 -175.649 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.584 4.371 0 N-CA-C 105.313 -3.115 . . . . 0.0 105.313 177.115 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.273 2.308 0 O-C-N 128.554 3.149 . . . . 0.0 106.522 179.804 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.244 0.793 0 C-N-CA 118.885 -1.126 . . . . 0.0 112.721 -177.639 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.78 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 177.57 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.816 0 CA-C-O 122.477 1.132 . . . . 0.0 108.101 176.427 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 121.456 1.438 . . . . 0.0 111.882 -179.718 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 177.05 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 105.319 -2.104 . . . . 0.0 105.319 177.497 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 122.79 1.281 . . . . 0.0 110.101 -176.95 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.166 0 CA-C-N 112.671 -2.058 . . . . 0.0 112.796 179.653 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.204 0 CA-C-N 118.188 0.994 . . . . 0.0 110.719 179.993 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.928 0 O-C-N 123.495 1.261 . . . . 0.0 111.601 177.232 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 103.147 -2.908 . . . . 0.0 103.147 178.672 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.328 0 O-C-N 126.92 2.637 . . . . 0.0 112.2 -178.793 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.719 0 N-CA-C 107.577 -1.74 . . . . 0.0 107.577 -179.23 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.955 0 O-C-N 128.092 3.37 . . . . 0.0 103.001 179.64 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.266 1.957 0 CA-C-O 116.052 -1.928 . . . . 0.0 108.763 -179.805 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.817 0 N-CA-C 104.071 -3.612 . . . . 0.0 104.071 179.64 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.509 0 CA-C-O 115.705 -2.093 . . . . 0.0 109.508 -178.364 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.748 0 N-CA-C 103.712 -2.699 . . . . 0.0 103.712 -179.42 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.059 0 O-C-N 127.769 3.168 . . . . 0.0 113.5 -177.163 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 106.346 -1.724 . . . . 0.0 106.346 -178.392 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.953 0 O-C-N 126.24 2.212 . . . . 0.0 107.601 -178.965 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.437 -2.214 . . . . 0.0 110.271 -177.055 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.297 0 N-CA-C 100.656 -3.831 . . . . 0.0 100.656 -178.722 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.31 0 CA-C-O 115.278 -2.051 . . . . 0.0 112.122 179.422 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.272 -2.798 0 CA-C-N 120.68 1.582 . . . . 0.0 109.59 177.823 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.274 2.388 0 CA-C-N 112.756 -2.02 . . . . 0.0 110.58 178.338 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.432 -1.326 0 O-C-N 120.913 -1.117 . . . . 0.0 110.448 178.572 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.145 0 O-C-N 125.782 1.926 . . . . 0.0 110.275 -178.374 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.091 0 O-C-N 127.045 2.716 . . . . 0.0 107.024 178.965 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.6 0 CA-C-O 122.209 1.004 . . . . 0.0 112.937 177.921 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.442 -0.865 0 O-C-N 117.495 -3.253 . . . . 0.0 114.612 179.635 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.82 0 O-C-N 125.637 1.836 . . . . 0.0 108.179 179.482 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.299 -1.62 1 O-C-N 129.332 4.145 . . . . 0.0 109.769 179.183 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 120.072 -1.642 . . . . 0.0 111.892 179.05 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.302 -1.473 0 C-N-CA 125.05 1.34 . . . . 0.0 112.784 178.728 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.29 -2.012 0 C-N-CA 127.976 2.703 . . . . 0.0 114.279 -179.572 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.273 2.312 0 C-N-CA 128.255 2.622 . . . . 0.0 111.486 -178.621 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 C-N-CA 117.606 -1.637 . . . . 0.0 107.399 -179.922 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.094 0 CA-C-O 117.276 -1.345 . . . . 0.0 108.997 -179.981 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.314 -1.287 0 C-N-CA 122.868 2.379 . . . . 0.0 111.764 179.843 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.01 0 O-C-N 118.702 -2.499 . . . . 0.0 115.671 -177.175 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.054 0 C-N-CA 126.638 1.975 . . . . 0.0 110.923 -179.44 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.972 0 C-N-CA 123.432 2.755 . . . . 0.0 115.501 177.884 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-N 121.309 1.868 . . . . 0.0 113.46 177.99 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 124.965 1.306 . . . . 0.0 107.998 179.989 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.854 0 C-N-CA 119.057 -1.057 . . . . 0.0 109.711 179.162 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.581 -0.699 . . . . 0.0 109.254 179.144 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 C--O 1.243 0.746 0 CA-C-N 114.253 -1.339 . . . . 0.0 109.749 179.853 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-N 119.538 1.063 . . . . 0.0 111.955 -177.968 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 117.104 -1.427 . . . . 0.0 111.842 -178.021 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 -178.899 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.463 0 CA-C-N 114.553 -1.203 . . . . 0.0 109.187 179.73 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-O 124.856 2.265 . . . . 0.0 109.411 178.327 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.048 0 CA-C-N 112.734 -2.03 . . . . 0.0 111.277 178.794 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-N 121.143 1.792 . . . . 0.0 112.738 179.892 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.295 0 CA-C-O 118.481 -0.771 . . . . 0.0 112.278 -176.297 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 O-C-N 124.045 0.84 . . . . 0.0 109.143 -179.332 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-O 115.252 -2.308 . . . . 0.0 110.935 -178.157 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.209 0 O-C-N 127.571 3.044 . . . . 0.0 111.04 178.943 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.294 -1.812 0 C-N-CA 127.433 2.293 . . . . 0.0 113.787 -177.201 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 125.956 2.035 . . . . 0.0 112.244 -179.948 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.385 0 CA-C-N 121.281 1.855 . . . . 0.0 114.818 179.85 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.587 0 C-N-CA 124.763 1.225 . . . . 0.0 111.449 179.56 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 107.126 -1.435 . . . . 0.0 107.126 178.928 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.237 0 N-CA-C 107.286 -1.375 . . . . 0.0 107.286 178.227 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 O-C-N 124.815 1.322 . . . . 0.0 110.036 -178.665 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-N 113.63 -1.623 . . . . 0.0 111.073 178.315 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.503 0 C-N-CA 127.111 2.164 . . . . 0.0 112.549 -178.543 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 113.697 -1.592 . . . . 0.0 111.97 179.768 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-O 116.765 -1.588 . . . . 0.0 111.649 -178.273 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 126.467 2.354 . . . . 0.0 107.528 178.909 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 C--N 1.312 -1.049 0 C-N-CA 126.444 1.898 . . . . 0.0 113.142 179.222 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.659 -179.213 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.18 0 O-C-N 124.441 1.088 . . . . 0.0 108.217 178.153 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 116.622 -1.656 . . . . 0.0 112.081 179.069 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.506 0 N-CA-C 115.882 1.808 . . . . 0.0 115.882 -179.722 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 O-C-N 124.489 1.118 . . . . 0.0 111.134 -177.911 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.309 -1.155 0 O-C-N 125.456 1.722 . . . . 0.0 111.334 -178.697 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.093 0 C-N-CA 127.308 2.243 . . . . 0.0 107.418 179.139 . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 500' ' ' MXT . . . . . 1.173 H121 ' N ' ' A' ' 42' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 600' ' ' MXT . . . . . 0.871 H231 ' O11' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 044 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.467 ' HA ' H121 ' A' ' 500' ' ' MXT . 0.5 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.288 0 O-C-N 125.664 1.852 . . . . 0.0 106.879 167.018 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.753 1 O-C-N 129.204 4.265 . . . . 0.0 108.011 -174.418 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.943 0 CA-C-N 121.046 1.748 . . . . 0.0 112.642 -178.291 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.177 0 CA-C-N 114.201 -1.363 . . . . 0.0 110.925 -176.646 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 C-N-CA 127.037 2.135 . . . . 0.0 110.289 -177.036 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.256 1.432 0 O-C-N 120.818 -1.176 . . . . 0.0 109.829 177.297 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.589 0 N-CA-C 105.974 -1.862 . . . . 0.0 105.974 -177.247 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 127.182 2.802 . . . . 0.0 107.837 177.706 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.758 0 CA-C-O 115.504 -2.188 . . . . 0.0 106.434 -179.74 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.535 1 O-C-N 130.614 4.946 . . . . 0.0 106.293 176.974 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 CA-C-O 113.757 -3.021 . . . . 0.0 105.841 -179.808 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-N 121.14 1.791 . . . . 0.0 110.052 -177.834 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 125.868 1.98 . . . . 0.0 105.801 -176.572 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.372 0 O-C-N 127.484 2.99 . . . . 0.0 112.754 -176.359 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.969 0 O-C-N 127.191 2.807 . . . . 0.0 112.294 177.613 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 122.167 2.258 . . . . 0.0 111.854 -179.602 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.331 -0.222 0 O-C-N 126.651 2.47 . . . . 0.0 109.717 -174.877 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.722 0 C-N-CA 124.626 3.551 . . . . 0.0 111.972 179.689 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.475 0.822 0 CA-C-N 111.722 -2.49 . . . . 0.0 106.768 179.124 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.315 -1.22 0 O-C-N 127.584 3.413 . . . . 0.0 107.893 178.996 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.329 -0.496 0 C-N-CA 121.841 1.694 . . . . 0.0 108.288 178.863 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.582 0 O-C-N 127.074 2.734 . . . . 0.0 112.156 179.958 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.986 0 C-N-CA 126.749 2.019 . . . . 0.0 114.908 -174.501 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.705 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 175.016 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 124.944 1.403 . . . . 0.0 113.62 -175.773 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.255 1.392 0 CA-C-O 117.403 -1.284 . . . . 0.0 112.803 -179.417 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.33 0 CA-C-N 121.695 2.043 . . . . 0.0 114.943 179.625 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.459 0 C-N-CA 122.214 1.943 . . . . 0.0 113.296 178.075 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.292 -1.9 0 C-N-CA 129.761 3.225 . . . . 0.0 112.27 178.903 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.311 -1.068 0 O-C-N 119.48 -2.012 . . . . 0.0 109.527 177.968 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.342 0 CA-C-O 115.561 -2.161 . . . . 0.0 109.236 179.774 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 127.439 2.962 . . . . 0.0 109.443 179.545 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.216 0 O-C-N 120.287 -1.508 . . . . 0.0 112.873 177.177 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-O 122.0 0.905 . . . . 0.0 113.327 179.01 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.264 0 C-N-CA 126.472 1.909 . . . . 0.0 109.297 179.732 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 125.061 1.476 . . . . 0.0 110.254 175.827 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.149 0 C-N-CA 127.048 2.139 . . . . 0.0 114.589 178.828 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 1.973 0 CA-C-O 117.092 -1.949 . . . . 0.0 112.33 178.449 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-N 118.164 0.982 . . . . 0.0 108.516 179.249 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 176.003 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.931 0 C-N-CA 123.951 0.9 . . . . 0.0 112.892 -179.496 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.474 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 -175.51 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.31 -1.121 0 C-N-CA 125.07 1.348 . . . . 0.0 108.149 175.071 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 177.224 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.212 -0.911 0 CA-C-N 114.312 -1.313 . . . . 0.0 110.088 -179.905 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-O 115.992 -1.956 . . . . 0.0 112.309 178.839 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.561 0 N-CA-C 116.542 2.052 . . . . 0.0 116.542 -174.866 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.594 0 CA-C-O 122.762 1.268 . . . . 0.0 112.31 -178.941 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 122.367 2.045 . . . . 0.0 115.135 -179.554 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 107.472 -1.306 . . . . 0.0 107.472 177.67 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.442 0 N-CA-C 115.176 1.547 . . . . 0.0 115.176 178.324 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.497 -1.094 0 O-C-N 118.343 -2.723 . . . . 0.0 114.651 -179.065 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.301 0 N-CA-C 115.949 1.833 . . . . 0.0 115.949 179.701 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.075 0 CA-C-N 120.255 1.127 . . . . 0.0 114.868 -179.596 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.274 1.029 . . . . 0.0 112.001 179.853 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 O-C-N 125.062 1.476 . . . . 0.0 111.477 -179.747 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.295 0 N-CA-C 116.922 2.193 . . . . 0.0 116.922 179.148 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 127.647 2.379 . . . . 0.0 115.53 -178.083 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.246 0.873 0 N-CA-C 117.138 2.273 . . . . 0.0 117.138 -178.565 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.482 -2.026 0 CA-C-O 115.715 -2.714 . . . . 0.0 118.86 177.671 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.961 0 CA-C-N 124.153 3.976 . . . . 0.0 111.367 179.765 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-O 115.62 -2.133 . . . . 0.0 106.291 177.554 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.302 -1.483 0 O-C-N 125.497 1.748 . . . . 0.0 107.627 -178.94 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.45 0 O-C-N 125.769 1.918 . . . . 0.0 111.459 -179.641 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-O 122.086 0.946 . . . . 0.0 110.737 179.367 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.069 0 N-CA-C 106.738 -1.579 . . . . 0.0 106.738 -179.91 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 1.976 0 O-C-N 126.034 2.084 . . . . 0.0 116.232 -179.822 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.8 0 CA-C-O 117.935 -1.031 . . . . 0.0 112.617 -178.227 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.485 1.948 0 N-CA-C 107.817 -2.113 . . . . 0.0 107.817 -178.377 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 125.324 2.488 . . . . 0.0 112.697 -177.88 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.246 0.874 0 CA-C-N 110.884 -2.871 . . . . 0.0 110.46 179.165 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -0.98 0 O-C-N 126.353 2.283 . . . . 0.0 105.409 176.664 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.407 0 N-CA-C 117.779 2.511 . . . . 0.0 117.779 -176.507 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 178.796 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 103.824 -2.658 . . . . 0.0 103.824 177.08 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 CA-C-N 112.002 -2.363 . . . . 0.0 108.034 -179.363 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.3 0 N-CA-C 118.515 2.166 . . . . 0.0 118.515 -178.208 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.241 0.658 0 O-C-N 121.443 -1.033 . . . . 0.0 112.258 -179.684 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.686 0 O-C-N 123.656 0.598 . . . . 0.0 112.596 -177.127 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.842 0 CA-C-O 124.236 1.969 . . . . 0.0 110.07 -179.805 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.891 0 CA-C-N 113.455 -1.702 . . . . 0.0 108.363 -178.371 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.464 0.516 0 CA-C-N 114.009 -1.45 . . . . 0.0 110.182 179.277 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 124.781 0.93 . . . . 0.0 110.007 179.95 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.247 0.969 0 CA-C-N 114.39 -1.277 . . . . 0.0 109.329 179.339 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.187 0 O-C-N 124.535 1.147 . . . . 0.0 110.196 178.842 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.86 0 N-CA-C 119.095 2.398 . . . . 0.0 119.095 -179.673 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.842 0 O-C-N 120.877 -1.367 . . . . 0.0 109.104 179.453 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 178.626 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.266 1.931 0 O-C-N 125.695 1.872 . . . . 0.0 110.253 179.13 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.367 0.603 . . . . 0.0 111.896 -179.137 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 115.721 -2.085 . . . . 0.0 108.828 -177.946 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.893 0 O-C-N 127.248 2.842 . . . . 0.0 110.357 178.719 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-O 117.672 -1.156 . . . . 0.0 109.577 -179.705 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 O-C-N 128.174 3.421 . . . . 0.0 112.872 -177.742 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.252 1.226 0 O-C-N 125.085 1.491 . . . . 0.0 111.758 -178.092 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 123.843 0.857 . . . . 0.0 110.181 178.275 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.292 -1.927 0 N-CA-C 118.06 2.615 . . . . 0.0 118.06 175.686 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.045 0 C-N-CA 124.093 0.957 . . . . 0.0 109.102 177.524 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 127.435 2.959 . . . . 0.0 111.35 -177.956 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.305 -1.367 0 C-N-CA 130.0 3.32 . . . . 0.0 109.016 178.285 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.935 0 O-C-N 126.728 2.518 . . . . 0.0 113.76 -178.12 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 115.28 1.585 . . . . 0.0 115.28 -178.391 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 124.718 1.261 . . . . 0.0 109.922 178.585 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.401 0 C-N-CA 124.013 0.925 . . . . 0.0 109.16 179.057 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.878 0 C-N-CA 123.478 0.711 . . . . 0.0 112.71 -178.48 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-O 116.985 -1.483 . . . . 0.0 110.979 -177.784 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 CA-C-O 116.758 -1.591 . . . . 0.0 110.708 -176.97 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.16 0 CA-C-N 119.554 1.07 . . . . 0.0 112.873 -178.924 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 124.952 1.301 . . . . 0.0 111.718 -178.515 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 125.029 1.456 . . . . 0.0 108.28 -179.578 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 126.505 2.378 . . . . 0.0 111.592 -178.931 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.008 0 C-N-CA 120.201 -0.599 . . . . 0.0 110.479 177.601 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -177.746 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 125.647 1.579 . . . . 0.0 111.308 177.351 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.466 0.683 0 O-C-N 121.355 -0.841 . . . . 0.0 114.253 -179.401 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.623 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 179.242 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 119.786 -1.821 . . . . 0.0 109.662 -179.344 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.442 -0.869 0 N-CA-C 116.335 1.976 . . . . 0.0 116.335 -176.968 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 125.242 1.589 . . . . 0.0 110.335 -176.629 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 112.532 -2.122 . . . . 0.0 108.361 176.028 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 N-CA-C 104.489 -2.412 . . . . 0.0 104.489 178.502 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 125.376 1.673 . . . . 0.0 108.235 -177.687 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 N--CA 1.474 1.223 0 O-C-N 125.834 1.959 . . . . 0.0 110.995 -175.574 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.465 0 O-C-N 126.243 2.707 . . . . 0.0 115.023 -176.5 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.259 1.569 0 O-C-N 120.426 -1.421 . . . . 0.0 113.776 177.699 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.363 0 N-CA-C 115.567 1.692 . . . . 0.0 115.567 -176.935 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.264 1.829 0 CA-C-O 115.114 -2.374 . . . . 0.0 112.802 -178.687 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.261 1.689 0 CA-C-N 120.894 1.679 . . . . 0.0 114.864 -178.051 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.311 -1.072 0 C-N-CA 127.044 2.138 . . . . 0.0 111.191 -179.563 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 O-C-N 126.253 2.22 . . . . 0.0 110.434 -179.715 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 125.326 1.45 . . . . 0.0 107.099 177.878 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.744 0 C-N-CA 126.545 1.938 . . . . 0.0 112.633 178.98 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.179 0 CA-C-N 113.214 -1.812 . . . . 0.0 111.377 -177.682 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.144 0 C-N-CA 123.856 0.862 . . . . 0.0 113.198 -179.049 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 104.185 -2.524 . . . . 0.0 104.185 177.429 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 104.861 -2.274 . . . . 0.0 104.861 178.65 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 128.552 3.657 . . . . 0.0 117.019 -175.619 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.582 4.278 0 N-CA-C 105.359 -3.096 . . . . 0.0 105.359 177.058 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.36 0 O-C-N 128.446 3.086 . . . . 0.0 106.497 179.812 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.831 0 C-N-CA 118.975 -1.09 . . . . 0.0 112.754 -177.638 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.791 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 177.545 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.857 0 CA-C-O 122.44 1.114 . . . . 0.0 108.067 176.466 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 121.482 1.455 . . . . 0.0 111.826 -179.688 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 177.001 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 105.3 -2.111 . . . . 0.0 105.3 177.514 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 122.774 1.273 . . . . 0.0 110.063 -176.954 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.168 0 CA-C-N 112.691 -2.049 . . . . 0.0 112.768 179.68 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.309 -1.195 0 CA-C-N 118.212 1.006 . . . . 0.0 110.78 179.75 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.914 0 O-C-N 123.522 1.275 . . . . 0.0 111.666 177.382 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 103.187 -2.894 . . . . 0.0 103.187 178.552 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.306 -1.31 0 O-C-N 126.891 2.619 . . . . 0.0 112.215 -178.766 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.7 0 N-CA-C 107.542 -1.753 . . . . 0.0 107.542 -179.803 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.975 0 O-C-N 128.103 3.377 . . . . 0.0 102.979 179.668 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.975 0 CA-C-O 116.037 -1.935 . . . . 0.0 108.778 179.764 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.841 0 N-CA-C 104.033 -3.627 . . . . 0.0 104.033 -179.163 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.504 0 CA-C-O 115.72 -2.086 . . . . 0.0 109.487 -178.337 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.733 0 N-CA-C 103.717 -2.698 . . . . 0.0 103.717 -179.255 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.065 0 O-C-N 127.726 3.141 . . . . 0.0 113.481 -179.31 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 106.334 -1.728 . . . . 0.0 106.334 -177.839 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.959 0 O-C-N 126.286 2.241 . . . . 0.0 107.591 -179.389 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.289 -2.3 . . . . 0.0 110.271 -177.527 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.314 0 N-CA-C 100.648 -3.834 . . . . 0.0 100.648 -173.887 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.445 -1.34 0 CA-C-O 115.259 -2.059 . . . . 0.0 112.105 175.973 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.272 -2.791 0 CA-C-N 120.715 1.598 . . . . 0.0 109.577 177.812 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.438 0 CA-C-N 112.847 -1.979 . . . . 0.0 110.612 178.299 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.434 -1.264 0 O-C-N 120.926 -1.109 . . . . 0.0 110.399 178.55 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.556 1.191 0 O-C-N 125.79 1.931 . . . . 0.0 110.241 -178.334 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.289 -2.048 0 O-C-N 127.063 2.727 . . . . 0.0 107.076 178.955 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.484 -1.585 0 CA-C-O 122.176 0.989 . . . . 0.0 112.943 177.897 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.914 0 O-C-N 117.517 -3.239 . . . . 0.0 114.648 179.606 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.573 1.83 0 O-C-N 125.611 1.819 . . . . 0.0 108.122 179.496 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.299 -1.598 1 O-C-N 129.284 4.115 . . . . 0.0 109.74 179.218 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 120.028 -1.67 . . . . 0.0 111.836 179.082 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 125.079 1.352 . . . . 0.0 112.819 178.681 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.29 -2.006 0 C-N-CA 127.963 2.697 . . . . 0.0 114.314 -179.183 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.273 0 C-N-CA 128.269 2.628 . . . . 0.0 111.522 -177.211 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 C-N-CA 117.604 -1.639 . . . . 0.0 107.379 178.983 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.287 -2.128 0 CA-C-O 117.288 -1.339 . . . . 0.0 109.022 -179.484 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 N--CA 1.49 1.307 0 C-N-CA 122.885 2.39 . . . . 0.0 111.774 179.039 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.017 0 O-C-N 118.669 -2.519 . . . . 0.0 115.698 -177.78 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.051 0 C-N-CA 126.602 1.961 . . . . 0.0 110.901 179.715 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.506 -0.918 0 C-N-CA 123.43 2.753 . . . . 0.0 115.491 178.28 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-N 121.281 1.855 . . . . 0.0 113.48 178.058 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 124.968 1.307 . . . . 0.0 108.005 179.985 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.244 0.804 0 C-N-CA 119.025 -1.07 . . . . 0.0 109.801 179.086 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.586 -0.696 . . . . 0.0 109.31 179.104 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 114.222 -1.354 . . . . 0.0 109.729 179.848 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 119.565 1.075 . . . . 0.0 111.958 -177.995 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-O 117.037 -1.459 . . . . 0.0 111.84 -177.982 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 -178.936 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.462 0 CA-C-N 114.608 -1.178 . . . . 0.0 109.155 179.755 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-O 124.887 2.28 . . . . 0.0 109.412 178.32 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.042 0 CA-C-N 112.729 -2.032 . . . . 0.0 111.284 178.817 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.721 0 CA-C-N 121.17 1.804 . . . . 0.0 112.769 179.858 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.253 1.272 0 CA-C-O 118.493 -0.765 . . . . 0.0 112.281 -176.303 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 O-C-N 124.066 0.854 . . . . 0.0 109.123 -179.329 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-O 115.212 -2.328 . . . . 0.0 110.87 -178.131 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.21 0 O-C-N 127.62 3.075 . . . . 0.0 111.026 179.012 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.793 0 C-N-CA 127.404 2.282 . . . . 0.0 113.782 -177.149 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 125.935 2.022 . . . . 0.0 112.126 -179.878 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.347 0 CA-C-N 121.349 1.886 . . . . 0.0 114.858 179.9 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.26 1.613 0 C-N-CA 124.79 1.236 . . . . 0.0 111.428 179.549 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 178.932 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.238 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 178.257 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 O-C-N 124.843 1.339 . . . . 0.0 109.997 -178.654 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.348 0 CA-C-N 113.658 -1.61 . . . . 0.0 111.069 178.316 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.302 -1.494 0 C-N-CA 127.115 2.166 . . . . 0.0 112.507 -178.503 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 113.707 -1.588 . . . . 0.0 111.983 179.767 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.688 0 CA-C-O 116.786 -1.578 . . . . 0.0 111.704 -178.281 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 126.522 2.389 . . . . 0.0 107.578 178.844 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.056 0 C-N-CA 126.399 1.879 . . . . 0.0 113.126 179.265 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.633 -179.202 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-O 122.345 1.069 . . . . 0.0 108.213 178.119 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-O 116.576 -1.678 . . . . 0.0 112.117 179.073 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.501 0 N-CA-C 115.941 1.83 . . . . 0.0 115.941 -179.774 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 O-C-N 124.471 1.107 . . . . 0.0 111.094 -177.94 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.151 0 O-C-N 125.443 1.714 . . . . 0.0 111.334 -178.633 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.07 0 C-N-CA 127.293 2.237 . . . . 0.0 107.417 179.164 . . . . . . . . 0 0 . 1 . 044 nuclear build full ' A' A ' 500' ' ' MXT . . . . . 0.558 H221 ' O11' ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 600' ' ' MXT . . . . . 0.864 ' O11' H231 ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 045 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.561 ' CA ' H122 ' A' ' 500' ' ' MXT . 0.0 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.962 ' H ' H122 ' A' ' 500' ' ' MXT . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.506 2.331 0 O-C-N 125.664 1.852 . . . . 0.0 106.831 168.529 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.74 1 O-C-N 129.217 4.272 . . . . 0.0 107.989 -172.063 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.948 0 CA-C-N 121.029 1.74 . . . . 0.0 112.622 179.681 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.18 0 CA-C-N 114.235 -1.348 . . . . 0.0 110.972 177.844 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.192 0 C-N-CA 126.988 2.115 . . . . 0.0 110.222 -177.401 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.462 0 O-C-N 120.886 -1.134 . . . . 0.0 109.846 -176.346 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.599 0 N-CA-C 105.952 -1.87 . . . . 0.0 105.952 -177.949 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 127.171 2.795 . . . . 0.0 107.799 -179.025 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.772 0 CA-C-O 115.432 -2.223 . . . . 0.0 106.456 178.083 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.554 1 O-C-N 130.648 4.968 . . . . 0.0 106.295 178.868 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.174 0 CA-C-O 113.719 -3.038 . . . . 0.0 105.877 -179.857 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-N 121.108 1.777 . . . . 0.0 110.037 -177.796 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 125.868 1.98 . . . . 0.0 105.794 -176.573 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.35 0 O-C-N 127.488 2.992 . . . . 0.0 112.729 -176.36 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.956 0 O-C-N 127.247 2.842 . . . . 0.0 112.248 177.625 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.914 0 O-C-N 119.035 -2.291 . . . . 0.0 111.877 -179.657 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.332 -0.193 0 O-C-N 126.666 2.478 . . . . 0.0 109.679 -174.875 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.716 0 C-N-CA 124.719 3.612 . . . . 0.0 111.906 179.733 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.477 0.882 0 CA-C-N 111.747 -2.479 . . . . 0.0 106.753 179.144 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.313 -1.293 0 O-C-N 127.529 3.383 . . . . 0.0 107.914 178.998 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.505 0 C-N-CA 121.833 1.688 . . . . 0.0 108.303 178.872 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.623 0 O-C-N 127.066 2.729 . . . . 0.0 112.157 179.938 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.995 0 C-N-CA 126.767 2.027 . . . . 0.0 114.9 -174.431 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.708 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 175.026 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 124.895 1.372 . . . . 0.0 113.634 -175.766 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.257 1.472 0 CA-C-O 117.382 -1.295 . . . . 0.0 112.77 -179.446 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.292 0 CA-C-N 121.807 2.094 . . . . 0.0 114.958 179.597 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.46 0 C-N-CA 122.118 1.879 . . . . 0.0 113.373 178.054 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.292 -1.897 0 C-N-CA 129.797 3.239 . . . . 0.0 112.237 178.908 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.05 0 O-C-N 119.348 -2.095 . . . . 0.0 109.572 177.923 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.359 0 CA-C-O 115.522 -2.18 . . . . 0.0 109.199 179.76 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 127.434 2.959 . . . . 0.0 109.391 179.579 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.213 0 O-C-N 120.27 -1.519 . . . . 0.0 112.887 177.19 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 122.04 0.924 . . . . 0.0 113.352 179.027 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.249 0 C-N-CA 126.437 1.895 . . . . 0.0 109.279 179.693 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 125.11 1.506 . . . . 0.0 110.244 175.894 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.167 0 C-N-CA 127.058 2.143 . . . . 0.0 114.552 178.827 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.004 0 CA-C-O 117.127 -1.93 . . . . 0.0 112.382 178.469 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-N 118.126 0.963 . . . . 0.0 108.477 179.273 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 176.023 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.929 0 C-N-CA 123.968 0.907 . . . . 0.0 112.871 -179.504 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.256 1.44 0 N-CA-C 114.976 1.473 . . . . 0.0 114.976 -175.52 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.107 0 C-N-CA 125.022 1.329 . . . . 0.0 108.097 175.052 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 107.896 -1.149 . . . . 0.0 107.896 177.254 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.935 0 CA-C-N 114.285 -1.325 . . . . 0.0 110.063 -179.881 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-O 115.974 -1.965 . . . . 0.0 112.347 178.763 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.576 0 N-CA-C 116.546 2.054 . . . . 0.0 116.546 -174.901 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.614 0 CA-C-O 122.723 1.249 . . . . 0.0 112.354 -178.978 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.448 -1.194 0 C-N-CA 122.357 2.038 . . . . 0.0 115.109 -179.554 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 107.417 -1.327 . . . . 0.0 107.417 177.681 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.412 0 N-CA-C 115.178 1.548 . . . . 0.0 115.178 178.358 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.118 0 O-C-N 118.338 -2.726 . . . . 0.0 114.611 -179.083 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.319 0 N-CA-C 115.964 1.839 . . . . 0.0 115.964 179.72 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.063 0 CA-C-N 120.303 1.144 . . . . 0.0 114.9 -179.628 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.249 1.02 . . . . 0.0 112.015 179.823 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 O-C-N 125.084 1.49 . . . . 0.0 111.457 -179.703 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.255 1.351 0 N-CA-C 116.884 2.179 . . . . 0.0 116.884 179.158 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 127.677 2.391 . . . . 0.0 115.56 -178.111 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.842 0 N-CA-C 117.102 2.26 . . . . 0.0 117.102 -178.511 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.065 0 CA-C-O 115.644 -2.753 . . . . 0.0 118.847 177.66 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.29 -2.001 0 CA-C-N 124.193 3.996 . . . . 0.0 111.315 179.755 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-O 115.605 -2.141 . . . . 0.0 106.276 177.505 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.502 0 O-C-N 125.52 1.763 . . . . 0.0 107.624 -178.933 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.459 0 O-C-N 125.801 1.938 . . . . 0.0 111.445 -179.642 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-O 122.07 0.938 . . . . 0.0 110.705 179.412 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.038 0 N-CA-C 106.711 -1.588 . . . . 0.0 106.711 -179.889 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.266 1.949 0 O-C-N 126.02 2.075 . . . . 0.0 116.193 -179.833 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.813 0 CA-C-O 117.966 -1.016 . . . . 0.0 112.616 -178.29 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 2.015 0 N-CA-C 107.807 -2.117 . . . . 0.0 107.807 -178.388 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 125.341 2.496 . . . . 0.0 112.617 -177.805 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.863 0 CA-C-N 110.891 -2.868 . . . . 0.0 110.412 179.219 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -1.019 0 O-C-N 126.347 2.279 . . . . 0.0 105.415 176.633 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.393 0 N-CA-C 117.81 2.522 . . . . 0.0 117.81 -176.564 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 178.829 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 103.809 -2.663 . . . . 0.0 103.809 177.046 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 CA-C-N 112.017 -2.356 . . . . 0.0 108.002 -179.321 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.308 0 N-CA-C 118.557 2.183 . . . . 0.0 118.557 -178.251 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.243 0.73 0 O-C-N 121.415 -1.05 . . . . 0.0 112.23 -179.65 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.63 0 N-CA-C 112.605 0.595 . . . . 0.0 112.605 -177.173 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.838 0 CA-C-O 124.264 1.983 . . . . 0.0 110.089 -179.828 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.245 0.866 0 CA-C-N 113.446 -1.706 . . . . 0.0 108.43 -178.401 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 C--N 1.318 -0.423 0 CA-C-N 114.005 -1.452 . . . . 0.0 110.197 179.297 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 124.854 0.973 . . . . 0.0 110.003 179.904 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.247 0.955 0 CA-C-N 114.404 -1.271 . . . . 0.0 109.353 179.309 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.18 0 O-C-N 124.52 1.137 . . . . 0.0 110.203 178.862 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.852 0 N-CA-C 119.021 2.368 . . . . 0.0 119.021 -179.66 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.214 -0.815 0 O-C-N 120.912 -1.346 . . . . 0.0 109.107 179.506 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 178.604 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.898 0 O-C-N 125.644 1.84 . . . . 0.0 110.248 179.11 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.295 0.569 . . . . 0.0 111.908 -179.18 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 115.768 -2.063 . . . . 0.0 108.84 -177.948 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.906 0 O-C-N 127.275 2.86 . . . . 0.0 110.382 178.695 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-O 117.667 -1.158 . . . . 0.0 109.569 -179.677 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 O-C-N 128.124 3.39 . . . . 0.0 112.86 -177.713 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.264 0 O-C-N 125.078 1.486 . . . . 0.0 111.735 -178.096 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 123.901 0.88 . . . . 0.0 110.182 178.303 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.964 0 N-CA-C 118.05 2.611 . . . . 0.0 118.05 175.711 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.03 0 C-N-CA 124.056 0.942 . . . . 0.0 109.066 177.511 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 127.428 2.955 . . . . 0.0 111.395 -177.969 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.402 0 C-N-CA 130.012 3.325 . . . . 0.0 109.007 178.338 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.951 0 O-C-N 126.818 2.573 . . . . 0.0 113.742 -178.071 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 115.275 1.583 . . . . 0.0 115.275 -178.468 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 124.737 1.273 . . . . 0.0 109.964 178.507 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 123.988 0.915 . . . . 0.0 109.186 179.02 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 123.489 0.715 . . . . 0.0 112.731 -178.446 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 2.1 p -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-O 116.946 -1.502 . . . . 0.0 110.962 -177.878 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 CA-C-O 116.792 -1.575 . . . . 0.0 110.693 -176.908 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.252 1.186 0 CA-C-N 119.537 1.062 . . . . 0.0 112.83 -178.863 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 124.981 1.312 . . . . 0.0 111.646 -178.449 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 125.066 1.478 . . . . 0.0 108.268 -179.557 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.746 0 O-C-N 126.586 2.429 . . . . 0.0 111.64 -178.935 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 0.996 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.47 177.579 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.72 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -177.752 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.513 0 C-N-CA 125.678 1.591 . . . . 0.0 111.236 177.403 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 C--O 1.242 0.637 0 O-C-N 121.313 -0.867 . . . . 0.0 114.247 -179.439 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.612 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 179.224 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 119.831 -1.793 . . . . 0.0 109.65 -179.342 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.9 0 N-CA-C 116.384 1.994 . . . . 0.0 116.384 -176.947 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 125.317 1.636 . . . . 0.0 110.259 -176.646 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--O 1.211 -0.941 0 CA-C-N 112.531 -2.122 . . . . 0.0 108.261 176.079 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 N-CA-C 104.529 -2.397 . . . . 0.0 104.529 178.409 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 125.431 1.707 . . . . 0.0 108.286 -177.697 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.289 0 O-C-N 125.906 2.004 . . . . 0.0 110.966 -175.523 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.47 0 O-C-N 126.263 2.717 . . . . 0.0 115.074 -176.517 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.509 0 O-C-N 120.42 -1.425 . . . . 0.0 113.79 177.701 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.393 0 N-CA-C 115.637 1.717 . . . . 0.0 115.637 -177.009 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.264 1.828 0 CA-C-O 115.082 -2.39 . . . . 0.0 112.756 -178.68 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.648 0 CA-C-N 120.936 1.698 . . . . 0.0 114.837 -178.014 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.311 -1.084 0 C-N-CA 127.03 2.132 . . . . 0.0 111.188 -179.551 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 126.188 2.18 . . . . 0.0 110.469 -179.745 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 125.368 1.467 . . . . 0.0 107.071 177.889 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.738 0 C-N-CA 126.556 1.942 . . . . 0.0 112.58 179.034 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.18 0 CA-C-N 113.201 -1.818 . . . . 0.0 111.447 -177.702 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.11 0 C-N-CA 123.835 0.854 . . . . 0.0 113.179 -179.092 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 104.195 -2.52 . . . . 0.0 104.195 177.394 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 104.811 -2.292 . . . . 0.0 104.811 178.681 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 128.533 3.646 . . . . 0.0 116.995 -175.635 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.341 0 N-CA-C 105.29 -3.124 . . . . 0.0 105.29 177.061 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.356 0 O-C-N 128.52 3.13 . . . . 0.0 106.501 179.791 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.845 0 C-N-CA 118.922 -1.111 . . . . 0.0 112.722 -177.65 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.793 0 N-CA-C 109.776 -0.454 . . . . 0.0 109.776 177.523 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.244 0.793 0 CA-C-O 122.451 1.12 . . . . 0.0 108.061 176.476 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.285 0 C-N-CA 121.458 1.439 . . . . 0.0 111.884 -179.727 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 177.008 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 105.336 -2.098 . . . . 0.0 105.336 177.525 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 122.765 1.269 . . . . 0.0 110.095 -176.92 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.25 1.145 0 CA-C-N 112.671 -2.059 . . . . 0.0 112.8 177.867 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.309 -1.182 0 CA-C-N 118.157 0.978 . . . . 0.0 110.73 -179.871 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.923 0 O-C-N 123.501 1.264 . . . . 0.0 111.636 177.5 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 103.173 -2.899 . . . . 0.0 103.173 178.887 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.337 0 O-C-N 126.873 2.608 . . . . 0.0 112.187 -179.304 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.44 -1.675 0 N-CA-C 107.54 -1.754 . . . . 0.0 107.54 -178.984 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.953 0 O-C-N 128.136 3.398 . . . . 0.0 102.993 179.58 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.977 0 CA-C-O 115.983 -1.961 . . . . 0.0 108.825 178.913 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.544 1.873 0 N-CA-C 104.073 -3.611 . . . . 0.0 104.073 -178.845 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.525 0 CA-C-O 115.65 -2.119 . . . . 0.0 109.496 179.814 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.737 0 N-CA-C 103.682 -2.71 . . . . 0.0 103.682 -175.622 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.088 0 O-C-N 127.747 3.154 . . . . 0.0 113.483 -178.524 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 106.322 -1.733 . . . . 0.0 106.322 -177.969 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.501 2.969 0 O-C-N 126.275 2.235 . . . . 0.0 107.621 -178.749 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 120.808 -1.407 . . . . 0.0 110.271 179.579 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.293 0 N-CA-C 100.647 -3.835 . . . . 0.0 100.647 -177.537 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.298 0 CA-C-O 115.229 -2.071 . . . . 0.0 112.068 179.027 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.272 -2.787 0 CA-C-N 120.717 1.599 . . . . 0.0 109.589 177.774 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.423 0 CA-C-N 112.806 -1.997 . . . . 0.0 110.584 178.347 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.318 0 O-C-N 120.925 -1.109 . . . . 0.0 110.409 178.568 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.156 0 O-C-N 125.822 1.952 . . . . 0.0 110.243 -178.319 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.071 0 O-C-N 126.995 2.684 . . . . 0.0 106.999 178.962 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.484 -1.594 0 CA-C-O 122.232 1.015 . . . . 0.0 112.964 177.926 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.88 0 O-C-N 117.486 -3.258 . . . . 0.0 114.568 179.655 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.809 0 O-C-N 125.614 1.821 . . . . 0.0 108.129 179.505 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.299 -1.603 1 O-C-N 129.247 4.092 . . . . 0.0 109.738 179.178 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 120.067 -1.645 . . . . 0.0 111.869 179.076 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.529 0 C-N-CA 125.126 1.37 . . . . 0.0 112.739 178.769 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.042 0 C-N-CA 127.992 2.711 . . . . 0.0 114.314 -178.849 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.273 2.293 0 C-N-CA 128.26 2.624 . . . . 0.0 111.528 -178.06 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 C-N-CA 117.596 -1.642 . . . . 0.0 107.434 179.54 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.086 0 CA-C-O 117.283 -1.341 . . . . 0.0 109.027 -179.901 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.307 0 C-N-CA 122.829 2.352 . . . . 0.0 111.74 178.873 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.249 1.028 0 O-C-N 118.672 -2.518 . . . . 0.0 115.69 -177.18 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.035 0 C-N-CA 126.635 1.974 . . . . 0.0 110.897 179.624 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.506 -0.914 0 C-N-CA 123.453 2.768 . . . . 0.0 115.496 176.959 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-N 121.254 1.843 . . . . 0.0 113.445 177.993 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 124.956 1.302 . . . . 0.0 107.998 -179.956 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.839 0 C-N-CA 119.102 -1.039 . . . . 0.0 109.736 179.111 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.561 -0.712 . . . . 0.0 109.307 179.113 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 114.198 -1.365 . . . . 0.0 109.728 179.839 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 119.577 1.08 . . . . 0.0 111.998 -177.972 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-O 117.064 -1.446 . . . . 0.0 111.811 -178.025 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 115.04 1.496 . . . . 0.0 115.04 -178.898 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.258 1.523 0 CA-C-N 114.552 -1.204 . . . . 0.0 109.117 179.775 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.309 -1.171 0 CA-C-O 124.877 2.275 . . . . 0.0 109.432 178.347 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.027 0 CA-C-N 112.751 -2.022 . . . . 0.0 111.294 178.753 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 121.138 1.79 . . . . 0.0 112.779 179.833 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.253 1.28 0 CA-C-O 118.4 -0.81 . . . . 0.0 112.268 -176.315 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 O-C-N 124.147 0.905 . . . . 0.0 109.108 -179.334 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.307 -1.239 0 CA-C-O 115.185 -2.34 . . . . 0.0 110.866 -178.099 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.229 0 O-C-N 127.551 3.032 . . . . 0.0 111.029 178.979 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.294 -1.807 0 C-N-CA 127.45 2.3 . . . . 0.0 113.762 -177.181 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 125.971 2.045 . . . . 0.0 112.2 -179.898 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.367 0 CA-C-N 121.297 1.862 . . . . 0.0 114.821 179.833 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.583 0 C-N-CA 124.75 1.22 . . . . 0.0 111.439 179.533 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 178.918 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.216 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 178.228 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 O-C-N 124.825 1.328 . . . . 0.0 110.039 -178.631 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 113.629 -1.623 . . . . 0.0 111.048 178.304 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.302 -1.498 0 C-N-CA 127.083 2.153 . . . . 0.0 112.514 -178.528 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 113.729 -1.578 . . . . 0.0 111.97 179.819 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-O 116.738 -1.601 . . . . 0.0 111.66 -178.29 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 126.551 2.407 . . . . 0.0 107.535 178.92 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.041 0 C-N-CA 126.413 1.885 . . . . 0.0 113.171 179.249 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.612 -179.202 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.189 0 O-C-N 124.45 1.093 . . . . 0.0 108.223 178.106 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 116.556 -1.688 . . . . 0.0 112.095 179.074 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.512 0 N-CA-C 115.897 1.814 . . . . 0.0 115.897 -179.736 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 O-C-N 124.456 1.098 . . . . 0.0 111.157 -177.937 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.137 0 O-C-N 125.405 1.691 . . . . 0.0 111.335 -178.673 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.08 0 C-N-CA 127.234 2.214 . . . . 0.0 107.425 179.095 . . . . . . . . 0 0 . 1 . 045 nuclear build full ' A' A ' 500' ' ' MXT . . . . . 0.962 H122 ' H ' ' A' ' 42' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 600' ' ' MXT . . . . . 0.765 H231 ' O12' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 046 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.77 ' CA ' H122 ' A' ' 500' ' ' MXT . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 1.033 ' N ' ' C12' ' A' ' 500' ' ' MXT . 43.1 t -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 1.11 ' H ' H122 ' A' ' 500' ' ' MXT . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.506 2.335 0 O-C-N 125.664 1.852 . . . . 0.0 106.857 169.76 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.731 1 O-C-N 129.206 4.266 . . . . 0.0 107.931 -173.717 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.901 0 CA-C-N 121.002 1.728 . . . . 0.0 112.626 179.945 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.502 2.167 0 CA-C-N 114.245 -1.343 . . . . 0.0 110.892 179.645 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.163 0 C-N-CA 126.95 2.1 . . . . 0.0 110.237 -175.739 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.256 1.419 0 O-C-N 120.895 -1.128 . . . . 0.0 109.803 -170.828 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.563 0 N-CA-C 105.881 -1.896 . . . . 0.0 105.881 -177.022 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 127.179 2.8 . . . . 0.0 107.794 179.255 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.782 0 CA-C-O 115.399 -2.238 . . . . 0.0 106.479 179.038 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.557 1 O-C-N 130.719 5.012 . . . . 0.0 106.307 177.297 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.157 0 CA-C-O 113.728 -3.034 . . . . 0.0 105.831 -179.773 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.434 0 CA-C-N 121.17 1.804 . . . . 0.0 110.037 -177.786 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.294 -1.809 0 O-C-N 125.844 1.965 . . . . 0.0 105.775 -176.568 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.254 1.339 0 O-C-N 127.521 3.013 . . . . 0.0 112.76 -176.366 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.956 0 O-C-N 127.172 2.795 . . . . 0.0 112.206 177.695 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 122.192 2.269 . . . . 0.0 111.904 -179.644 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--O 1.225 -0.212 0 O-C-N 126.654 2.471 . . . . 0.0 109.674 -174.884 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--O 1.243 0.744 0 C-N-CA 124.668 3.579 . . . . 0.0 111.967 179.67 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.835 0 CA-C-N 111.757 -2.474 . . . . 0.0 106.728 179.151 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.268 0 O-C-N 127.538 3.388 . . . . 0.0 107.873 179.021 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.511 0 C-N-CA 121.858 1.705 . . . . 0.0 108.308 178.838 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.61 0 O-C-N 127.067 2.729 . . . . 0.0 112.151 179.922 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.987 0 C-N-CA 126.741 2.017 . . . . 0.0 114.871 -174.424 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.701 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 174.973 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.305 -1.344 0 C-N-CA 125.076 1.351 . . . . 0.0 113.65 -175.809 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.408 0 CA-C-O 117.41 -1.281 . . . . 0.0 112.798 -179.391 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.253 1.269 0 CA-C-N 121.731 2.06 . . . . 0.0 114.892 179.655 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.473 0 C-N-CA 122.128 1.886 . . . . 0.0 113.317 178.111 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.896 0 C-N-CA 129.783 3.233 . . . . 0.0 112.279 178.846 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.052 0 O-C-N 119.47 -2.019 . . . . 0.0 109.548 177.961 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.559 1.322 0 CA-C-O 115.59 -2.148 . . . . 0.0 109.259 179.73 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 127.42 2.95 . . . . 0.0 109.418 179.559 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.216 0 O-C-N 120.318 -1.489 . . . . 0.0 112.867 177.189 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-O 122.028 0.918 . . . . 0.0 113.372 179.015 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.266 0 C-N-CA 126.479 1.911 . . . . 0.0 109.305 179.705 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 125.123 1.514 . . . . 0.0 110.263 175.827 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.269 2.104 0 C-N-CA 127.101 2.16 . . . . 0.0 114.598 178.863 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.027 0 CA-C-O 117.086 -1.952 . . . . 0.0 112.342 178.478 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-N 118.134 0.967 . . . . 0.0 108.526 179.239 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 176.03 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.961 0 C-N-CA 123.946 0.899 . . . . 0.0 112.837 -179.481 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.469 0 N-CA-C 114.965 1.468 . . . . 0.0 114.965 -175.525 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.31 -1.109 0 C-N-CA 125.048 1.339 . . . . 0.0 108.082 175.084 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 177.26 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.959 0 CA-C-N 114.268 -1.333 . . . . 0.0 110.062 -179.864 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-O 115.923 -1.989 . . . . 0.0 112.302 178.807 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.577 0 C-N-CA 126.86 2.064 . . . . 0.0 116.504 -174.878 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.606 0 CA-C-O 122.773 1.273 . . . . 0.0 112.264 -178.876 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 122.408 2.072 . . . . 0.0 115.113 -179.545 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 177.637 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.433 0 N-CA-C 115.211 1.56 . . . . 0.0 115.211 178.305 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.497 -1.081 0 O-C-N 118.337 -2.727 . . . . 0.0 114.637 -179.098 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.328 0 N-CA-C 115.93 1.826 . . . . 0.0 115.93 179.73 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 CA-C-N 120.316 1.148 . . . . 0.0 114.871 -179.622 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.27 1.028 . . . . 0.0 112.055 179.831 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 O-C-N 125.09 1.494 . . . . 0.0 111.506 -179.742 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.255 1.35 0 N-CA-C 116.907 2.188 . . . . 0.0 116.907 179.107 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 127.665 2.386 . . . . 0.0 115.545 -178.085 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.861 0 N-CA-C 117.107 2.262 . . . . 0.0 117.107 -178.545 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.09 0 CA-C-O 115.688 -2.729 . . . . 0.0 118.873 177.663 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.947 0 CA-C-N 124.155 3.978 . . . . 0.0 111.397 179.716 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-O 115.622 -2.132 . . . . 0.0 106.291 177.497 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.509 0 O-C-N 125.528 1.768 . . . . 0.0 107.604 -178.917 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.489 0 O-C-N 125.809 1.943 . . . . 0.0 111.459 -179.644 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-O 122.127 0.965 . . . . 0.0 110.695 179.442 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.037 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 -179.883 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.266 1.967 0 O-C-N 126.043 2.089 . . . . 0.0 116.228 -179.86 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.785 0 CA-C-O 117.91 -1.043 . . . . 0.0 112.574 -178.238 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 2.004 0 N-CA-C 107.801 -2.119 . . . . 0.0 107.801 -178.412 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 125.342 2.496 . . . . 0.0 112.662 -177.807 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.859 0 CA-C-N 110.908 -2.86 . . . . 0.0 110.427 179.195 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.314 -0.967 0 O-C-N 126.349 2.28 . . . . 0.0 105.458 176.604 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.39 0 N-CA-C 117.806 2.521 . . . . 0.0 117.806 -176.548 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 178.831 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 103.797 -2.668 . . . . 0.0 103.797 177.09 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 CA-C-N 111.997 -2.365 . . . . 0.0 107.981 -179.3 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.301 0 N-CA-C 118.542 2.177 . . . . 0.0 118.542 -178.239 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.241 0.658 0 O-C-N 121.466 -1.02 . . . . 0.0 112.249 -179.612 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.692 0 O-C-N 123.662 0.601 . . . . 0.0 112.615 -177.192 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.844 0 CA-C-O 124.178 1.942 . . . . 0.0 110.085 -179.805 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.894 0 CA-C-N 113.417 -1.72 . . . . 0.0 108.371 -178.343 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.463 0.464 0 CA-C-N 114.058 -1.428 . . . . 0.0 110.198 179.258 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 124.844 0.967 . . . . 0.0 110.04 179.939 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 1.012 0 CA-C-N 114.339 -1.3 . . . . 0.0 109.352 179.319 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.482 1.156 0 O-C-N 124.511 1.132 . . . . 0.0 110.219 178.83 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 CA--C 1.501 -0.829 0 N-CA-C 119.025 2.37 . . . . 0.0 119.025 -179.683 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.214 -0.809 0 O-C-N 120.899 -1.354 . . . . 0.0 109.116 179.488 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 107.124 -1.435 . . . . 0.0 107.124 178.587 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.871 0 O-C-N 125.632 1.832 . . . . 0.0 110.236 179.122 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.293 0.568 . . . . 0.0 111.86 -179.163 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 115.704 -2.093 . . . . 0.0 108.795 -177.895 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.894 0 O-C-N 127.272 2.858 . . . . 0.0 110.368 178.727 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 117.634 -1.174 . . . . 0.0 109.544 -179.655 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 O-C-N 128.182 3.426 . . . . 0.0 112.823 -177.706 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.276 0 O-C-N 125.096 1.497 . . . . 0.0 111.748 -178.086 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 123.861 0.865 . . . . 0.0 110.175 178.269 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 118.055 2.613 . . . . 0.0 118.055 175.67 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.051 0 C-N-CA 124.103 0.961 . . . . 0.0 109.071 177.52 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 127.412 2.945 . . . . 0.0 111.378 -177.92 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.305 -1.357 0 C-N-CA 130.008 3.323 . . . . 0.0 109.001 178.281 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.949 0 O-C-N 126.801 2.563 . . . . 0.0 113.734 -178.116 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 115.258 1.577 . . . . 0.0 115.258 -178.421 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 124.742 1.276 . . . . 0.0 109.985 178.499 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.394 0 C-N-CA 124.019 0.927 . . . . 0.0 109.22 179.043 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 123.482 0.713 . . . . 0.0 112.728 -178.479 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 3.8 p -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-O 116.957 -1.497 . . . . 0.0 110.983 -177.86 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.68 0 CA-C-O 116.76 -1.59 . . . . 0.0 110.726 -176.96 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.25 1.126 0 CA-C-N 119.513 1.051 . . . . 0.0 112.882 -178.911 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 124.956 1.302 . . . . 0.0 111.72 -178.521 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 125.066 1.479 . . . . 0.0 108.256 -179.541 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 126.585 2.428 . . . . 0.0 111.596 -178.951 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.016 0 C-N-CA 120.202 -0.599 . . . . 0.0 110.504 177.565 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -177.713 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.524 0 C-N-CA 125.7 1.6 . . . . 0.0 111.275 177.385 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 C--O 1.243 0.69 0 O-C-N 121.24 -0.912 . . . . 0.0 114.229 -179.429 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.602 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 179.256 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 119.8 -1.813 . . . . 0.0 109.676 -179.319 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 116.318 1.969 . . . . 0.0 116.318 -176.969 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 125.192 1.558 . . . . 0.0 110.327 -176.632 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--O 1.212 -0.908 0 CA-C-N 112.55 -2.114 . . . . 0.0 108.302 176.001 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 N-CA-C 104.525 -2.398 . . . . 0.0 104.525 178.488 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 125.418 1.699 . . . . 0.0 108.284 -177.685 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.277 0 O-C-N 125.911 2.007 . . . . 0.0 110.974 -175.54 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.474 -2.493 0 O-C-N 126.233 2.701 . . . . 0.0 115.076 -176.506 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.538 0 O-C-N 120.398 -1.439 . . . . 0.0 113.819 177.682 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.363 0 N-CA-C 115.609 1.707 . . . . 0.0 115.609 -176.955 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.264 1.828 0 CA-C-O 115.102 -2.38 . . . . 0.0 112.836 -178.727 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.649 0 CA-C-N 120.932 1.696 . . . . 0.0 114.854 -178.072 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.311 -1.088 0 C-N-CA 127.117 2.167 . . . . 0.0 111.153 -179.542 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 O-C-N 126.246 2.216 . . . . 0.0 110.474 -179.707 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 107.062 -1.459 . . . . 0.0 107.062 177.918 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.261 1.71 0 C-N-CA 126.568 1.947 . . . . 0.0 112.63 179.002 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.144 0 CA-C-N 113.179 -1.828 . . . . 0.0 111.411 -177.705 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.125 0 C-N-CA 123.809 0.843 . . . . 0.0 113.145 -179.082 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 104.209 -2.515 . . . . 0.0 104.209 177.442 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 104.807 -2.294 . . . . 0.0 104.807 178.701 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 128.533 3.646 . . . . 0.0 116.998 -175.615 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.584 4.35 0 N-CA-C 105.303 -3.119 . . . . 0.0 105.303 177.074 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.357 0 O-C-N 128.506 3.121 . . . . 0.0 106.571 179.748 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.846 0 C-N-CA 118.923 -1.111 . . . . 0.0 112.683 -177.587 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.757 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.555 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.244 0.803 0 CA-C-O 122.486 1.136 . . . . 0.0 108.068 176.422 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 121.477 1.451 . . . . 0.0 111.816 -179.678 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 176.981 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 105.346 -2.094 . . . . 0.0 105.346 177.503 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 122.791 1.281 . . . . 0.0 110.068 -176.914 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.166 0 CA-C-N 112.685 -2.052 . . . . 0.0 112.773 178.259 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.208 0 CA-C-N 118.202 1.001 . . . . 0.0 110.715 179.553 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.957 0 O-C-N 123.486 1.256 . . . . 0.0 111.633 177.778 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.052 0 N-CA-C 103.149 -2.908 . . . . 0.0 103.149 178.969 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.306 -1.315 0 O-C-N 126.915 2.635 . . . . 0.0 112.221 -179.226 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.701 0 N-CA-C 107.577 -1.74 . . . . 0.0 107.577 -178.96 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.952 0 O-C-N 128.099 3.374 . . . . 0.0 103.002 179.42 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.996 0 CA-C-O 116.01 -1.948 . . . . 0.0 108.775 178.328 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.843 0 N-CA-C 104.113 -3.595 . . . . 0.0 104.113 -179.866 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.257 1.485 0 CA-C-O 115.73 -2.081 . . . . 0.0 109.482 -179.408 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.737 0 N-CA-C 103.727 -2.694 . . . . 0.0 103.727 -176.411 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.072 0 O-C-N 127.791 3.182 . . . . 0.0 113.559 -176.965 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 -177.197 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.915 0 O-C-N 126.272 2.232 . . . . 0.0 107.615 -178.987 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 120.283 -1.716 . . . . 0.0 110.271 -179.356 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.322 0 N-CA-C 100.64 -3.837 . . . . 0.0 100.64 172.704 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.297 0 CA-C-O 115.184 -2.09 . . . . 0.0 112.088 -178.524 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.82 0 CA-C-N 120.742 1.61 . . . . 0.0 109.581 177.775 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.444 0 CA-C-N 112.853 -1.976 . . . . 0.0 110.617 178.26 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.432 -1.332 0 O-C-N 120.918 -1.114 . . . . 0.0 110.44 178.548 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.159 0 O-C-N 125.738 1.899 . . . . 0.0 110.274 -178.372 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.077 0 O-C-N 127.087 2.742 . . . . 0.0 107.053 178.966 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.607 0 CA-C-O 122.221 1.01 . . . . 0.0 112.933 177.878 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.918 0 O-C-N 117.48 -3.262 . . . . 0.0 114.634 179.668 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.792 0 O-C-N 125.592 1.807 . . . . 0.0 108.167 179.448 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.299 -1.598 1 O-C-N 129.254 4.096 . . . . 0.0 109.742 179.178 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 120.019 -1.676 . . . . 0.0 111.818 179.119 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.3 -1.546 0 C-N-CA 125.163 1.385 . . . . 0.0 112.771 178.742 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.037 0 C-N-CA 127.99 2.709 . . . . 0.0 114.326 -179.049 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.283 0 C-N-CA 128.214 2.605 . . . . 0.0 111.515 179.789 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 C-N-CA 117.571 -1.652 . . . . 0.0 107.425 178.422 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.085 0 CA-C-O 117.297 -1.335 . . . . 0.0 108.991 -179.989 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.298 0 C-N-CA 122.866 2.377 . . . . 0.0 111.795 179.816 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.007 0 O-C-N 118.654 -2.529 . . . . 0.0 115.733 -177.508 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.053 0 C-N-CA 126.648 1.979 . . . . 0.0 110.921 178.905 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.504 -0.979 0 C-N-CA 123.397 2.731 . . . . 0.0 115.52 -179.085 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 121.329 1.877 . . . . 0.0 113.39 178.038 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.316 -0.852 0 C-N-CA 124.99 1.316 . . . . 0.0 108.01 -179.994 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.246 0.871 0 C-N-CA 119.132 -1.027 . . . . 0.0 109.702 179.132 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.626 -0.671 . . . . 0.0 109.29 179.161 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 114.214 -1.357 . . . . 0.0 109.717 179.867 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 119.578 1.081 . . . . 0.0 111.962 -177.947 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-O 117.079 -1.438 . . . . 0.0 111.846 -178.033 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 115.06 1.504 . . . . 0.0 115.06 -178.874 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.256 1.446 0 CA-C-N 114.565 -1.198 . . . . 0.0 109.173 179.706 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-O 124.898 2.285 . . . . 0.0 109.437 178.294 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.499 -1.004 0 CA-C-N 112.761 -2.018 . . . . 0.0 111.319 178.799 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.733 0 CA-C-N 121.108 1.776 . . . . 0.0 112.742 179.828 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.307 0 CA-C-O 118.429 -0.795 . . . . 0.0 112.303 -176.326 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 O-C-N 124.093 0.871 . . . . 0.0 109.111 -179.292 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-O 115.167 -2.349 . . . . 0.0 110.846 -178.101 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.22 0 O-C-N 127.608 3.067 . . . . 0.0 110.995 179.013 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.296 -1.755 0 C-N-CA 127.4 2.28 . . . . 0.0 113.801 -177.152 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 125.965 2.04 . . . . 0.0 112.2 -179.936 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.366 0 CA-C-N 121.327 1.876 . . . . 0.0 114.851 179.845 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.258 1.527 0 C-N-CA 124.766 1.226 . . . . 0.0 111.426 179.564 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 179.004 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 178.21 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 O-C-N 124.791 1.307 . . . . 0.0 110.02 -178.665 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.041 178.351 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.502 0 C-N-CA 127.13 2.172 . . . . 0.0 112.509 -178.559 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 113.697 -1.592 . . . . 0.0 111.976 179.79 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-O 116.724 -1.607 . . . . 0.0 111.639 -178.286 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 126.528 2.392 . . . . 0.0 107.548 178.9 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.437 -1.081 0 C-N-CA 126.418 1.887 . . . . 0.0 113.134 179.299 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.644 -179.227 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 124.474 1.109 . . . . 0.0 108.195 178.13 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-O 116.578 -1.677 . . . . 0.0 112.133 179.041 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.257 1.495 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 -179.75 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 O-C-N 124.464 1.103 . . . . 0.0 111.15 -177.961 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.111 0 O-C-N 125.47 1.731 . . . . 0.0 111.378 -178.667 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.067 0 C-N-CA 127.275 2.23 . . . . 0.0 107.432 179.108 . . . . . . . . 0 0 . 1 . 046 nuclear build full ' A' A ' 500' ' ' MXT . . . . . 1.11 H122 ' H ' ' A' ' 42' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 600' ' ' MXT . . . . . 0.927 H231 ' O11' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 047 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 31.5 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.3 0 O-C-N 125.664 1.852 . . . . 0.0 106.863 166.077 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.723 1 O-C-N 129.167 4.246 . . . . 0.0 107.999 -173.426 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.936 0 CA-C-N 121.022 1.737 . . . . 0.0 112.664 -177.933 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.189 0 CA-C-N 114.228 -1.351 . . . . 0.0 110.926 -176.373 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.21 0 C-N-CA 127.033 2.133 . . . . 0.0 110.294 -176.943 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.454 0 O-C-N 120.917 -1.114 . . . . 0.0 109.848 177.613 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.599 0 N-CA-C 105.917 -1.882 . . . . 0.0 105.917 -175.632 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 127.13 2.769 . . . . 0.0 107.791 179.789 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.777 0 CA-C-O 115.396 -2.24 . . . . 0.0 106.471 -179.019 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.558 1 O-C-N 130.701 5.001 . . . . 0.0 106.287 170.413 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.119 0 CA-C-O 113.699 -3.048 . . . . 0.0 105.886 -179.841 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-N 121.153 1.797 . . . . 0.0 110.064 -177.779 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 125.871 1.982 . . . . 0.0 105.842 -176.625 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.393 0 O-C-N 127.515 3.01 . . . . 0.0 112.743 -176.333 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.267 2.005 0 O-C-N 127.21 2.818 . . . . 0.0 112.226 177.665 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 122.176 2.262 . . . . 0.0 111.88 -179.617 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.331 -0.222 0 O-C-N 126.638 2.462 . . . . 0.0 109.743 -174.924 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--O 1.242 0.695 0 C-N-CA 124.68 3.587 . . . . 0.0 111.932 179.725 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.475 0.823 0 CA-C-N 111.736 -2.484 . . . . 0.0 106.736 179.178 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.248 0 O-C-N 127.475 3.355 . . . . 0.0 107.914 178.958 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.548 0 C-N-CA 121.863 1.709 . . . . 0.0 108.288 178.873 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.581 0 O-C-N 127.106 2.754 . . . . 0.0 112.152 179.942 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.291 -1.951 0 C-N-CA 126.731 2.012 . . . . 0.0 114.901 -174.467 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.702 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 175.023 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.304 0 O-C-N 124.898 1.374 . . . . 0.0 113.639 -175.787 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.415 0 CA-C-O 117.419 -1.277 . . . . 0.0 112.807 -179.401 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.322 0 CA-C-N 121.688 2.04 . . . . 0.0 114.931 179.618 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.495 0 C-N-CA 122.158 1.905 . . . . 0.0 113.302 178.107 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.87 0 C-N-CA 129.837 3.255 . . . . 0.0 112.317 178.835 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.028 0 O-C-N 119.444 -2.035 . . . . 0.0 109.496 177.997 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.33 0 CA-C-O 115.586 -2.149 . . . . 0.0 109.241 179.749 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 127.419 2.949 . . . . 0.0 109.427 179.552 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.199 0 O-C-N 120.273 -1.517 . . . . 0.0 112.878 177.195 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 122.045 0.926 . . . . 0.0 113.336 179.041 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.263 0 C-N-CA 126.514 1.926 . . . . 0.0 109.276 179.698 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 125.087 1.492 . . . . 0.0 110.258 175.869 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.269 2.093 0 C-N-CA 127.053 2.141 . . . . 0.0 114.605 178.839 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.026 0 CA-C-O 117.108 -1.94 . . . . 0.0 112.341 178.433 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.446 0 CA-C-N 118.143 0.971 . . . . 0.0 108.485 179.298 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 176.044 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.924 0 C-N-CA 123.915 0.886 . . . . 0.0 112.915 -179.511 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.478 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 -175.549 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.092 0 C-N-CA 125.0 1.32 . . . . 0.0 108.077 175.12 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.315 -0.913 0 O-C-N 124.564 1.165 . . . . 0.0 107.94 177.234 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.969 0 CA-C-N 114.293 -1.321 . . . . 0.0 110.067 -179.911 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-O 116.021 -1.943 . . . . 0.0 112.334 178.785 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.278 -2.535 0 C-N-CA 126.862 2.065 . . . . 0.0 116.549 -174.859 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.602 0 CA-C-O 122.739 1.257 . . . . 0.0 112.297 -178.937 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 122.359 2.039 . . . . 0.0 115.117 -179.533 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 177.615 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.435 0 N-CA-C 115.223 1.564 . . . . 0.0 115.223 178.248 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.099 0 O-C-N 118.372 -2.705 . . . . 0.0 114.635 -179.092 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.305 0 N-CA-C 115.997 1.851 . . . . 0.0 115.997 179.661 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.067 0 CA-C-N 120.293 1.141 . . . . 0.0 114.845 -179.61 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.266 1.026 . . . . 0.0 111.994 179.88 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 O-C-N 125.044 1.465 . . . . 0.0 111.475 -179.705 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.317 0 N-CA-C 116.958 2.207 . . . . 0.0 116.958 179.082 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 127.654 2.382 . . . . 0.0 115.558 -178.059 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.862 0 N-CA-C 117.159 2.281 . . . . 0.0 117.159 -178.566 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.093 0 CA-C-O 115.664 -2.742 . . . . 0.0 118.874 177.68 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.944 0 CA-C-N 124.181 3.991 . . . . 0.0 111.405 179.684 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-O 115.621 -2.133 . . . . 0.0 106.251 177.559 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.52 0 O-C-N 125.484 1.74 . . . . 0.0 107.641 -179.005 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.466 0 O-C-N 125.78 1.925 . . . . 0.0 111.449 -179.626 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-O 122.128 0.966 . . . . 0.0 110.704 179.407 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.041 0 N-CA-C 106.741 -1.577 . . . . 0.0 106.741 -179.9 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 1.992 0 O-C-N 126.015 2.072 . . . . 0.0 116.208 -179.834 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.264 1.829 0 CA-C-O 117.892 -1.051 . . . . 0.0 112.594 -178.263 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 1.969 0 N-CA-C 107.817 -2.113 . . . . 0.0 107.817 -178.421 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 125.338 2.494 . . . . 0.0 112.65 -177.811 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.246 0.87 0 CA-C-N 110.882 -2.872 . . . . 0.0 110.415 179.184 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -0.981 0 O-C-N 126.399 2.312 . . . . 0.0 105.449 176.575 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.386 0 N-CA-C 117.761 2.504 . . . . 0.0 117.761 -176.538 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 178.788 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 103.82 -2.659 . . . . 0.0 103.82 177.015 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 CA-C-N 112.012 -2.358 . . . . 0.0 108.038 -179.337 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.321 0 N-CA-C 118.55 2.18 . . . . 0.0 118.55 -178.247 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.696 0 O-C-N 121.488 -1.007 . . . . 0.0 112.254 -179.657 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.625 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -177.188 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 124.242 1.972 . . . . 0.0 110.053 -179.783 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.91 0 CA-C-N 113.399 -1.728 . . . . 0.0 108.354 -178.351 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.463 0.484 0 CA-C-N 114.065 -1.425 . . . . 0.0 110.178 179.29 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 124.856 0.974 . . . . 0.0 110.097 179.885 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 1.019 0 CA-C-N 114.314 -1.312 . . . . 0.0 109.318 179.307 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.484 1.269 0 O-C-N 124.549 1.156 . . . . 0.0 110.172 178.871 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.31 -0.872 0 N-CA-C 119.028 2.371 . . . . 0.0 119.028 -179.628 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.853 0 O-C-N 120.885 -1.362 . . . . 0.0 109.071 179.499 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.297 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 178.675 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.903 0 O-C-N 125.708 1.88 . . . . 0.0 110.28 179.126 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.31 0.576 . . . . 0.0 111.854 -179.16 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 115.732 -2.08 . . . . 0.0 108.758 -177.874 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.293 -1.883 0 O-C-N 127.266 2.854 . . . . 0.0 110.375 178.76 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 117.675 -1.155 . . . . 0.0 109.582 -179.703 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 O-C-N 128.161 3.413 . . . . 0.0 112.864 -177.715 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.279 0 O-C-N 125.132 1.52 . . . . 0.0 111.687 -178.071 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 123.867 0.867 . . . . 0.0 110.219 178.234 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.938 0 N-CA-C 118.051 2.611 . . . . 0.0 118.051 175.715 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.048 0 C-N-CA 124.134 0.974 . . . . 0.0 109.064 177.471 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 127.427 2.954 . . . . 0.0 111.33 -177.937 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 130.007 3.323 . . . . 0.0 108.974 178.331 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.246 0.905 0 O-C-N 126.761 2.538 . . . . 0.0 113.799 -178.178 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 115.258 1.577 . . . . 0.0 115.258 -178.393 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 124.763 1.29 . . . . 0.0 109.971 178.53 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.303 -1.441 0 C-N-CA 124.059 0.943 . . . . 0.0 109.208 179.029 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.315 -0.892 0 C-N-CA 123.535 0.734 . . . . 0.0 112.731 -178.51 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-O 117.023 -1.465 . . . . 0.0 110.981 -177.816 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 CA-C-O 116.753 -1.594 . . . . 0.0 110.703 -176.926 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.167 0 CA-C-N 119.574 1.079 . . . . 0.0 112.889 -178.92 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 124.915 1.286 . . . . 0.0 111.706 -178.511 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 125.075 1.484 . . . . 0.0 108.316 -179.592 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.295 -1.769 0 O-C-N 126.546 2.404 . . . . 0.0 111.641 -178.975 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.019 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.475 177.583 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.75 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 -177.76 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 125.675 1.59 . . . . 0.0 111.262 177.381 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 C--O 1.243 0.664 0 O-C-N 121.335 -0.853 . . . . 0.0 114.218 -179.442 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.628 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 179.232 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 119.795 -1.816 . . . . 0.0 109.637 -179.344 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 116.345 1.98 . . . . 0.0 116.345 -176.906 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 125.222 1.576 . . . . 0.0 110.305 -176.634 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 112.512 -2.131 . . . . 0.0 108.281 176.007 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 N-CA-C 104.498 -2.408 . . . . 0.0 104.498 178.491 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 125.437 1.711 . . . . 0.0 108.318 -177.668 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.278 0 O-C-N 125.883 1.989 . . . . 0.0 110.979 -175.532 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.467 0 O-C-N 126.258 2.715 . . . . 0.0 115.011 -176.517 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.543 0 O-C-N 120.384 -1.447 . . . . 0.0 113.805 177.691 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.254 1.338 0 N-CA-C 115.652 1.723 . . . . 0.0 115.652 -176.998 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 115.047 -2.406 . . . . 0.0 112.779 -178.728 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.643 0 CA-C-N 120.955 1.707 . . . . 0.0 114.82 -177.992 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.311 -1.082 0 C-N-CA 127.065 2.146 . . . . 0.0 111.203 -179.588 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 O-C-N 126.236 2.21 . . . . 0.0 110.485 -179.734 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 125.365 1.466 . . . . 0.0 107.044 177.914 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.261 1.708 0 C-N-CA 126.583 1.953 . . . . 0.0 112.557 179.081 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.252 1.193 0 CA-C-N 113.209 -1.814 . . . . 0.0 111.372 -177.673 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.309 -1.157 0 C-N-CA 123.873 0.869 . . . . 0.0 113.17 -179.054 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 104.124 -2.546 . . . . 0.0 104.124 177.489 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 104.865 -2.272 . . . . 0.0 104.865 178.628 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 128.543 3.652 . . . . 0.0 116.957 -175.607 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.584 4.354 0 N-CA-C 105.313 -3.115 . . . . 0.0 105.313 177.095 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.36 0 O-C-N 128.511 3.124 . . . . 0.0 106.487 179.809 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.816 0 C-N-CA 118.928 -1.109 . . . . 0.0 112.696 -177.646 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.742 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 177.527 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.244 0.806 0 CA-C-O 122.399 1.095 . . . . 0.0 108.095 176.451 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 121.457 1.438 . . . . 0.0 111.872 -179.729 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 177.028 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 105.367 -2.086 . . . . 0.0 105.367 177.476 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 122.828 1.299 . . . . 0.0 110.151 -176.887 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.25 1.132 0 CA-C-N 112.631 -2.077 . . . . 0.0 112.776 179.807 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.309 -1.191 0 CA-C-N 118.145 0.972 . . . . 0.0 110.727 179.938 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 O-C-N 123.465 1.245 . . . . 0.0 111.633 177.161 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.038 0 N-CA-C 103.12 -2.918 . . . . 0.0 103.12 178.408 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.337 0 O-C-N 126.861 2.601 . . . . 0.0 112.228 -178.928 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.44 -1.656 0 N-CA-C 107.558 -1.747 . . . . 0.0 107.558 -179.516 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.971 0 O-C-N 128.146 3.403 . . . . 0.0 103.022 177.937 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.266 1.963 0 CA-C-O 115.996 -1.954 . . . . 0.0 108.795 -177.107 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 C--N 1.293 -1.827 0 N-CA-C 104.117 -3.593 . . . . 0.0 104.117 178.261 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.527 0 CA-C-O 115.668 -2.11 . . . . 0.0 109.452 -177.309 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.569 1.705 0 N-CA-C 103.684 -2.71 . . . . 0.0 103.684 -178.813 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.088 0 O-C-N 127.69 3.119 . . . . 0.0 113.541 -179.736 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 106.31 -1.737 . . . . 0.0 106.31 -177.468 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.963 0 O-C-N 126.305 2.253 . . . . 0.0 107.593 -179.536 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.294 -2.297 . . . . 0.0 110.271 -177.577 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.336 0 N-CA-C 100.617 -3.846 . . . . 0.0 100.617 -177.198 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.294 0 CA-C-O 115.223 -2.074 . . . . 0.0 112.103 177.925 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.824 0 CA-C-N 120.713 1.597 . . . . 0.0 109.596 177.789 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.427 0 CA-C-N 112.859 -1.973 . . . . 0.0 110.594 178.306 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.285 0 O-C-N 120.94 -1.1 . . . . 0.0 110.438 178.533 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.166 0 O-C-N 125.78 1.925 . . . . 0.0 110.326 -178.405 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.289 -2.057 0 O-C-N 127.084 2.74 . . . . 0.0 107.056 178.967 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.608 0 CA-C-O 122.2 1.0 . . . . 0.0 112.927 177.902 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.877 0 O-C-N 117.482 -3.262 . . . . 0.0 114.574 179.661 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.805 0 O-C-N 125.605 1.815 . . . . 0.0 108.192 179.474 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.563 1 O-C-N 129.24 4.088 . . . . 0.0 109.716 179.204 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 120.022 -1.674 . . . . 0.0 111.832 179.133 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.302 -1.489 0 C-N-CA 125.127 1.371 . . . . 0.0 112.747 178.775 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.038 0 C-N-CA 128.026 2.727 . . . . 0.0 114.322 -179.346 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.273 2.293 0 C-N-CA 128.304 2.642 . . . . 0.0 111.519 -178.368 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 C-N-CA 117.611 -1.636 . . . . 0.0 107.399 179.877 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.097 0 CA-C-O 117.328 -1.32 . . . . 0.0 109.002 -179.88 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 N--CA 1.49 1.3 0 C-N-CA 122.838 2.358 . . . . 0.0 111.774 178.765 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.002 0 O-C-N 118.597 -2.565 . . . . 0.0 115.716 -178.095 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.046 0 C-N-CA 126.603 1.961 . . . . 0.0 110.955 178.409 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.926 0 C-N-CA 123.424 2.749 . . . . 0.0 115.511 179.229 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-N 121.245 1.838 . . . . 0.0 113.457 178.009 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 124.921 1.288 . . . . 0.0 108.031 -179.978 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.246 0.869 0 C-N-CA 119.038 -1.065 . . . . 0.0 109.766 179.082 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.611 -0.681 . . . . 0.0 109.312 179.08 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 C--O 1.244 0.793 0 CA-C-N 114.234 -1.348 . . . . 0.0 109.725 179.848 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 119.572 1.078 . . . . 0.0 111.934 -177.96 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-O 117.083 -1.437 . . . . 0.0 111.861 -178.016 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 -178.899 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.256 1.438 0 CA-C-N 114.592 -1.185 . . . . 0.0 109.209 179.728 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-O 124.88 2.276 . . . . 0.0 109.45 178.292 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.022 0 CA-C-N 112.687 -2.051 . . . . 0.0 111.275 178.784 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.733 0 CA-C-N 121.143 1.792 . . . . 0.0 112.788 179.898 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.3 0 CA-C-O 118.423 -0.799 . . . . 0.0 112.287 -176.347 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 O-C-N 124.125 0.891 . . . . 0.0 109.111 -179.348 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-O 115.259 -2.305 . . . . 0.0 110.893 -178.101 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.309 -1.185 0 O-C-N 127.537 3.023 . . . . 0.0 111.015 178.996 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.294 -1.816 0 C-N-CA 127.384 2.274 . . . . 0.0 113.767 -177.154 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 126.001 2.063 . . . . 0.0 112.148 -179.881 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.402 0 CA-C-N 121.314 1.87 . . . . 0.0 114.787 179.818 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.582 0 C-N-CA 124.771 1.228 . . . . 0.0 111.413 179.594 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 107.159 -1.423 . . . . 0.0 107.159 178.956 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 178.237 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 O-C-N 124.823 1.327 . . . . 0.0 109.999 -178.65 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.357 0 CA-C-N 113.628 -1.624 . . . . 0.0 111.068 178.32 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 127.166 2.186 . . . . 0.0 112.495 -178.507 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 113.703 -1.589 . . . . 0.0 111.975 179.769 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-O 116.787 -1.578 . . . . 0.0 111.684 -178.288 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 126.509 2.381 . . . . 0.0 107.59 178.891 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.437 -1.078 0 C-N-CA 126.419 1.888 . . . . 0.0 113.145 179.253 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.116 -0.947 . . . . 0.0 109.621 -179.236 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.174 0 O-C-N 124.454 1.096 . . . . 0.0 108.261 178.112 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 116.515 -1.707 . . . . 0.0 112.102 179.054 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.513 0 N-CA-C 115.893 1.812 . . . . 0.0 115.893 -179.761 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 O-C-N 124.506 1.129 . . . . 0.0 111.111 -177.92 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.311 -1.102 0 O-C-N 125.449 1.718 . . . . 0.0 111.374 -178.673 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.071 0 C-N-CA 127.264 2.226 . . . . 0.0 107.425 179.159 . . . . . . . . 0 0 . 1 . 047 nuclear build full ' A' A ' 500' ' ' MXT . . . . . 0.857 H231 ' O11' ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 600' ' ' MXT . . . . . 0.76 H231 ' O12' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 048 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.438 ' HB2' ' O12' ' A' ' 500' ' ' MXT . 28.9 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.506 2.334 0 O-C-N 125.664 1.852 . . . . 0.0 106.847 168.168 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.723 1 O-C-N 129.146 4.234 . . . . 0.0 107.981 -175.338 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.909 0 CA-C-N 121.019 1.736 . . . . 0.0 112.606 -178.16 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.176 0 CA-C-N 114.208 -1.36 . . . . 0.0 110.928 -176.852 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.208 0 C-N-CA 126.998 2.119 . . . . 0.0 110.248 -176.56 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.469 0 O-C-N 120.862 -1.148 . . . . 0.0 109.841 176.535 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.589 0 N-CA-C 105.947 -1.872 . . . . 0.0 105.947 -175.496 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 127.137 2.773 . . . . 0.0 107.812 179.288 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.784 0 CA-C-O 115.432 -2.223 . . . . 0.0 106.484 177.48 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.551 1 O-C-N 130.693 4.995 . . . . 0.0 106.302 178.488 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.142 0 CA-C-O 113.792 -3.004 . . . . 0.0 105.861 -179.856 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-N 121.127 1.785 . . . . 0.0 110.027 -177.793 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 125.871 1.982 . . . . 0.0 105.791 -176.628 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.347 0 O-C-N 127.538 3.024 . . . . 0.0 112.76 -176.379 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.952 0 O-C-N 127.228 2.83 . . . . 0.0 112.26 177.641 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.314 -0.938 0 O-C-N 119.057 -2.277 . . . . 0.0 111.909 -179.669 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--O 1.224 -0.24 0 O-C-N 126.669 2.481 . . . . 0.0 109.727 -174.923 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--O 1.242 0.712 0 C-N-CA 124.616 3.544 . . . . 0.0 111.929 179.761 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.855 0 CA-C-N 111.76 -2.473 . . . . 0.0 106.725 179.178 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.313 -1.299 0 O-C-N 127.498 3.367 . . . . 0.0 107.923 178.964 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.546 0 CA-C-O 116.159 -1.684 . . . . 0.0 108.336 178.878 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.428 -1.564 0 O-C-N 127.03 2.706 . . . . 0.0 112.116 179.975 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -2.004 0 C-N-CA 126.809 2.044 . . . . 0.0 114.893 -174.43 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.707 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 174.98 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.304 0 O-C-N 124.904 1.378 . . . . 0.0 113.683 -175.817 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.427 0 CA-C-O 117.37 -1.3 . . . . 0.0 112.746 -179.382 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.326 0 CA-C-N 121.744 2.065 . . . . 0.0 114.947 179.597 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.311 -1.443 0 C-N-CA 122.165 1.91 . . . . 0.0 113.354 178.07 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.292 -1.91 0 C-N-CA 129.773 3.229 . . . . 0.0 112.282 178.84 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.039 0 O-C-N 119.451 -2.031 . . . . 0.0 109.565 177.962 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.559 1.322 0 CA-C-O 115.588 -2.148 . . . . 0.0 109.242 179.699 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 127.386 2.929 . . . . 0.0 109.395 179.586 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.253 1.26 0 O-C-N 120.313 -1.492 . . . . 0.0 112.818 177.197 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 122.068 0.937 . . . . 0.0 113.314 179.076 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.262 0 C-N-CA 126.475 1.91 . . . . 0.0 109.242 179.798 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 125.064 1.477 . . . . 0.0 110.223 175.865 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.269 2.131 0 C-N-CA 127.064 2.146 . . . . 0.0 114.582 178.881 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.01 0 CA-C-O 117.094 -1.948 . . . . 0.0 112.335 178.443 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-N 118.128 0.964 . . . . 0.0 108.449 179.305 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 107.265 -1.383 . . . . 0.0 107.265 176.027 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.96 0 C-N-CA 123.923 0.889 . . . . 0.0 112.835 -179.508 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.454 0 N-CA-C 114.965 1.468 . . . . 0.0 114.965 -175.512 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.31 -1.119 0 C-N-CA 125.069 1.347 . . . . 0.0 108.123 175.071 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.877 0 O-C-N 124.53 1.144 . . . . 0.0 107.935 177.233 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.956 0 CA-C-N 114.282 -1.326 . . . . 0.0 110.079 -179.896 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-O 115.956 -1.973 . . . . 0.0 112.302 178.793 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.582 0 N-CA-C 116.578 2.066 . . . . 0.0 116.578 -174.903 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.587 0 CA-C-O 122.776 1.275 . . . . 0.0 112.283 -178.935 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 122.395 2.063 . . . . 0.0 115.112 -179.522 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 177.656 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.408 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 178.354 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.124 0 O-C-N 118.351 -2.718 . . . . 0.0 114.626 -179.06 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.295 0 N-CA-C 115.988 1.847 . . . . 0.0 115.988 179.715 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.029 0 CA-C-N 120.265 1.13 . . . . 0.0 114.891 -179.614 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.284 1.034 . . . . 0.0 112.015 179.83 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 O-C-N 125.128 1.518 . . . . 0.0 111.477 -179.727 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.255 1.361 0 N-CA-C 116.907 2.188 . . . . 0.0 116.907 179.131 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 127.576 2.35 . . . . 0.0 115.605 -178.123 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.861 0 N-CA-C 117.089 2.255 . . . . 0.0 117.089 -178.524 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.061 0 CA-C-O 115.72 -2.711 . . . . 0.0 118.935 177.675 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.938 0 CA-C-N 124.112 3.956 . . . . 0.0 111.359 179.741 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-O 115.658 -2.115 . . . . 0.0 106.254 177.495 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.302 -1.488 0 O-C-N 125.464 1.727 . . . . 0.0 107.635 -179.013 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.485 0 O-C-N 125.748 1.905 . . . . 0.0 111.458 -179.631 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-O 122.061 0.934 . . . . 0.0 110.722 179.417 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.05 0 N-CA-C 106.735 -1.58 . . . . 0.0 106.735 -179.899 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 1.993 0 O-C-N 126.048 2.093 . . . . 0.0 116.175 -179.836 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.794 0 CA-C-O 117.916 -1.04 . . . . 0.0 112.616 -178.281 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.485 1.957 0 N-CA-C 107.807 -2.117 . . . . 0.0 107.807 -178.39 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 125.291 2.472 . . . . 0.0 112.724 -177.868 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.857 0 CA-C-N 110.916 -2.856 . . . . 0.0 110.415 179.197 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -0.987 0 O-C-N 126.349 2.281 . . . . 0.0 105.438 176.626 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.254 1.339 0 N-CA-C 117.822 2.527 . . . . 0.0 117.822 -176.542 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 178.837 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 103.854 -2.647 . . . . 0.0 103.854 177.048 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 CA-C-N 111.979 -2.373 . . . . 0.0 107.985 -179.277 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.318 0 N-CA-C 118.551 2.181 . . . . 0.0 118.551 -178.265 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.66 0 O-C-N 121.427 -1.043 . . . . 0.0 112.242 -179.684 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.699 0 O-C-N 123.671 0.607 . . . . 0.0 112.575 -177.127 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.875 0 CA-C-O 124.239 1.971 . . . . 0.0 110.042 -179.799 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.893 0 CA-C-N 113.39 -1.732 . . . . 0.0 108.416 -178.4 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 C--N 1.318 -0.431 0 CA-C-N 114.074 -1.421 . . . . 0.0 110.192 179.252 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 124.823 0.955 . . . . 0.0 110.032 179.939 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 1.024 0 CA-C-N 114.355 -1.293 . . . . 0.0 109.353 179.272 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.211 0 O-C-N 124.502 1.126 . . . . 0.0 110.198 178.892 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.857 0 N-CA-C 119.046 2.378 . . . . 0.0 119.046 -179.691 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.842 0 O-C-N 120.89 -1.359 . . . . 0.0 109.107 179.463 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.289 0 N-CA-C 107.059 -1.46 . . . . 0.0 107.059 178.67 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.266 1.935 0 O-C-N 125.678 1.861 . . . . 0.0 110.233 179.138 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.332 0.587 . . . . 0.0 111.913 -179.176 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 115.741 -2.076 . . . . 0.0 108.789 -177.943 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.905 0 O-C-N 127.302 2.877 . . . . 0.0 110.377 178.754 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-O 117.653 -1.165 . . . . 0.0 109.597 -179.704 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 O-C-N 128.198 3.436 . . . . 0.0 112.85 -177.76 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.252 0 O-C-N 125.09 1.494 . . . . 0.0 111.76 -178.087 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 123.848 0.859 . . . . 0.0 110.214 178.266 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.292 -1.921 0 N-CA-C 118.046 2.61 . . . . 0.0 118.046 175.687 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.065 0 C-N-CA 124.131 0.972 . . . . 0.0 109.107 177.486 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 127.394 2.934 . . . . 0.0 111.372 -177.885 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 129.938 3.295 . . . . 0.0 109.005 178.263 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.935 0 O-C-N 126.789 2.555 . . . . 0.0 113.749 -178.076 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 115.254 1.576 . . . . 0.0 115.254 -178.39 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 124.736 1.273 . . . . 0.0 109.929 178.536 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 123.992 0.917 . . . . 0.0 109.189 179.009 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.877 0 C-N-CA 123.488 0.715 . . . . 0.0 112.696 -178.454 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-O 116.966 -1.492 . . . . 0.0 111.005 -177.842 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 CA-C-O 116.73 -1.605 . . . . 0.0 110.69 -176.959 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.252 1.186 0 CA-C-N 119.62 1.1 . . . . 0.0 112.777 -178.85 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.475 0 C-N-CA 124.992 1.317 . . . . 0.0 111.694 -178.456 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 125.056 1.472 . . . . 0.0 108.273 -179.552 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 126.589 2.431 . . . . 0.0 111.642 -178.973 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.016 0 C-N-CA 120.119 -0.632 . . . . 0.0 110.522 177.552 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 114.309 1.226 . . . . 0.0 114.309 -177.778 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 125.663 1.585 . . . . 0.0 111.226 177.422 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.466 0.693 0 O-C-N 121.298 -0.876 . . . . 0.0 114.228 -179.43 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 179.205 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 119.816 -1.803 . . . . 0.0 109.691 -179.389 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 116.393 1.997 . . . . 0.0 116.393 -176.997 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 125.278 1.611 . . . . 0.0 110.313 -176.653 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 112.488 -2.142 . . . . 0.0 108.278 176.003 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 N-CA-C 104.48 -2.415 . . . . 0.0 104.48 178.48 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 125.407 1.692 . . . . 0.0 108.321 -177.714 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.291 0 O-C-N 125.895 1.997 . . . . 0.0 110.986 -175.548 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.457 0 O-C-N 126.257 2.714 . . . . 0.0 115.025 -176.49 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.259 1.569 0 O-C-N 120.427 -1.42 . . . . 0.0 113.857 177.646 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.391 0 N-CA-C 115.611 1.708 . . . . 0.0 115.611 -177.007 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.263 1.801 0 CA-C-O 115.09 -2.386 . . . . 0.0 112.78 -178.633 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.61 0 CA-C-N 120.942 1.701 . . . . 0.0 114.865 -178.072 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.057 0 C-N-CA 127.093 2.157 . . . . 0.0 111.164 -179.523 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 O-C-N 126.194 2.184 . . . . 0.0 110.455 -179.697 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 107.052 -1.462 . . . . 0.0 107.052 177.891 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.733 0 C-N-CA 126.582 1.953 . . . . 0.0 112.603 179.053 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.137 0 CA-C-N 113.168 -1.833 . . . . 0.0 111.476 -177.749 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.127 0 C-N-CA 123.83 0.852 . . . . 0.0 113.137 -179.102 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 104.198 -2.519 . . . . 0.0 104.198 177.43 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 104.785 -2.302 . . . . 0.0 104.785 178.697 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 128.53 3.644 . . . . 0.0 116.993 -175.629 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.34 0 N-CA-C 105.315 -3.114 . . . . 0.0 105.315 177.085 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.273 2.331 0 O-C-N 128.511 3.124 . . . . 0.0 106.553 179.749 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.825 0 C-N-CA 118.923 -1.111 . . . . 0.0 112.672 -177.587 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.769 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 177.512 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.244 0.795 0 CA-C-O 122.473 1.13 . . . . 0.0 108.096 176.414 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.302 0 C-N-CA 121.445 1.43 . . . . 0.0 111.894 -179.717 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 177.06 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 105.376 -2.083 . . . . 0.0 105.376 177.51 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 122.796 1.284 . . . . 0.0 110.12 -176.891 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.25 1.149 0 CA-C-N 112.626 -2.079 . . . . 0.0 112.779 179.33 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.236 0 CA-C-N 118.187 0.994 . . . . 0.0 110.704 179.836 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.916 0 O-C-N 123.48 1.253 . . . . 0.0 111.637 177.187 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 103.21 -2.885 . . . . 0.0 103.21 178.557 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.332 0 O-C-N 126.842 2.589 . . . . 0.0 112.237 -179.001 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.44 -1.645 0 N-CA-C 107.535 -1.756 . . . . 0.0 107.535 -179.071 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.936 0 O-C-N 128.116 3.385 . . . . 0.0 103.0 179.558 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 116.005 -1.95 . . . . 0.0 108.814 -179.613 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.808 0 N-CA-C 104.076 -3.61 . . . . 0.0 104.076 -179.084 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.257 1.498 0 CA-C-O 115.695 -2.098 . . . . 0.0 109.497 -178.031 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.717 0 N-CA-C 103.711 -2.7 . . . . 0.0 103.711 -178.553 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.498 -1.041 0 O-C-N 127.717 3.136 . . . . 0.0 113.543 -179.592 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 106.357 -1.72 . . . . 0.0 106.357 -177.69 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.501 2.977 0 O-C-N 126.313 2.258 . . . . 0.0 107.645 -179.42 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.019 -2.459 . . . . 0.0 110.271 -177.678 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.342 1 O-C-N 113.511 -5.743 . . . . 0.0 100.632 -169.515 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.272 0 CA-C-O 115.174 -2.094 . . . . 0.0 112.082 176.839 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.835 0 CA-C-N 120.74 1.609 . . . . 0.0 109.548 177.818 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.399 0 CA-C-N 112.825 -1.988 . . . . 0.0 110.639 178.297 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.307 0 O-C-N 120.971 -1.081 . . . . 0.0 110.458 178.538 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.165 0 O-C-N 125.816 1.947 . . . . 0.0 110.27 -178.365 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.07 0 O-C-N 127.045 2.716 . . . . 0.0 107.026 178.941 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.606 0 CA-C-O 122.233 1.016 . . . . 0.0 112.91 177.936 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.905 0 O-C-N 117.399 -3.313 . . . . 0.0 114.562 179.708 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.571 1.786 0 O-C-N 125.633 1.833 . . . . 0.0 108.138 179.496 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.299 -1.6 1 O-C-N 129.233 4.083 . . . . 0.0 109.772 179.175 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 119.982 -1.699 . . . . 0.0 111.873 179.051 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 125.109 1.363 . . . . 0.0 112.785 178.75 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.29 -2.008 0 C-N-CA 127.969 2.7 . . . . 0.0 114.303 177.63 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.276 0 C-N-CA 128.282 2.633 . . . . 0.0 111.505 178.233 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 C-N-CA 117.58 -1.648 . . . . 0.0 107.387 177.79 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.287 -2.115 0 CA-C-O 117.249 -1.358 . . . . 0.0 109.014 -179.82 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.312 0 C-N-CA 122.869 2.38 . . . . 0.0 111.717 176.706 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 0.975 0 O-C-N 118.691 -2.506 . . . . 0.0 115.675 -179.05 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.063 0 C-N-CA 126.592 1.957 . . . . 0.0 110.913 -176.601 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.957 0 C-N-CA 123.409 2.739 . . . . 0.0 115.537 177.709 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 121.279 1.854 . . . . 0.0 113.438 177.994 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 124.968 1.307 . . . . 0.0 107.985 -179.993 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.85 0 C-N-CA 119.053 -1.059 . . . . 0.0 109.723 179.134 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.632 -0.667 . . . . 0.0 109.279 179.111 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 114.232 -1.349 . . . . 0.0 109.709 179.892 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 119.529 1.059 . . . . 0.0 111.976 -177.947 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-O 117.122 -1.418 . . . . 0.0 111.893 -178.047 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 115.081 1.511 . . . . 0.0 115.081 -178.973 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.258 1.505 0 CA-C-N 114.565 -1.198 . . . . 0.0 109.163 179.734 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.309 -1.171 0 CA-C-O 124.885 2.278 . . . . 0.0 109.439 178.28 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.022 0 CA-C-N 112.738 -2.028 . . . . 0.0 111.33 178.746 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.753 0 CA-C-N 121.095 1.77 . . . . 0.0 112.744 179.842 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.255 1.356 0 CA-C-O 118.43 -0.795 . . . . 0.0 112.271 -176.306 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 O-C-N 124.085 0.866 . . . . 0.0 109.155 -179.376 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-O 115.175 -2.345 . . . . 0.0 110.902 -178.162 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.307 -1.24 0 O-C-N 127.631 3.082 . . . . 0.0 111.031 178.977 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.774 0 C-N-CA 127.454 2.302 . . . . 0.0 113.745 -177.108 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 125.993 2.058 . . . . 0.0 112.198 -179.909 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.255 1.413 0 CA-C-N 121.359 1.89 . . . . 0.0 114.795 179.874 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.589 0 C-N-CA 124.765 1.226 . . . . 0.0 111.429 179.595 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 178.896 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 178.197 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 O-C-N 124.805 1.316 . . . . 0.0 110.037 -178.678 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 113.641 -1.618 . . . . 0.0 110.995 178.351 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 127.149 2.18 . . . . 0.0 112.521 -178.501 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 113.655 -1.612 . . . . 0.0 111.917 179.814 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-O 116.747 -1.597 . . . . 0.0 111.624 -178.209 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 126.491 2.369 . . . . 0.0 107.553 178.892 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.03 0 C-N-CA 126.379 1.871 . . . . 0.0 113.108 179.301 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.611 -179.2 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.17 0 O-C-N 124.445 1.091 . . . . 0.0 108.249 178.132 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 116.605 -1.664 . . . . 0.0 112.095 179.084 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.534 0 N-CA-C 115.921 1.823 . . . . 0.0 115.921 -179.718 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 O-C-N 124.446 1.092 . . . . 0.0 111.11 -177.902 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.131 0 O-C-N 125.46 1.725 . . . . 0.0 111.403 -178.698 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.069 0 C-N-CA 127.267 2.227 . . . . 0.0 107.407 179.15 . . . . . . . . 0 0 . 1 . 048 nuclear build full ' A' A ' 500' ' ' MXT . . . . . 0.623 ' O11' H231 ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 600' ' ' MXT . . . . . 0.516 ' O11' ' C22' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 049 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.694 ' O ' ' O11' ' A' ' 500' ' ' MXT . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 1.002 ' CA ' H122 ' A' ' 500' ' ' MXT . 29.2 m -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 1.04 ' H ' H121 ' A' ' 500' ' ' MXT . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.506 2.331 0 O-C-N 125.664 1.852 . . . . 0.0 106.857 168.529 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.726 1 O-C-N 129.193 4.26 . . . . 0.0 107.999 -175.262 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.92 0 CA-C-N 120.999 1.727 . . . . 0.0 112.65 -177.89 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.209 0 CA-C-N 114.205 -1.361 . . . . 0.0 110.965 -178.027 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.219 0 C-N-CA 126.995 2.118 . . . . 0.0 110.217 -177.008 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.462 0 O-C-N 120.881 -1.137 . . . . 0.0 109.804 -179.953 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.578 0 N-CA-C 105.938 -1.875 . . . . 0.0 105.938 -177.804 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 127.178 2.799 . . . . 0.0 107.84 179.206 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.777 0 CA-C-O 115.401 -2.238 . . . . 0.0 106.507 179.131 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 C--N 1.277 -2.549 1 O-C-N 130.692 4.995 . . . . 0.0 106.304 176.822 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.145 0 CA-C-O 113.797 -3.001 . . . . 0.0 105.882 -179.849 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.446 0 CA-C-N 121.17 1.805 . . . . 0.0 110.032 -177.747 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.78 0 O-C-N 125.943 2.027 . . . . 0.0 105.817 -176.619 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.254 1.321 0 O-C-N 127.522 3.014 . . . . 0.0 112.722 -176.343 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.944 0 O-C-N 127.188 2.805 . . . . 0.0 112.272 177.674 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.316 -0.89 0 O-C-N 119.073 -2.267 . . . . 0.0 111.889 -179.667 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.332 -0.169 0 O-C-N 126.689 2.493 . . . . 0.0 109.7 -174.854 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.722 0 C-N-CA 124.743 3.628 . . . . 0.0 111.89 179.718 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.847 0 CA-C-N 111.773 -2.467 . . . . 0.0 106.724 179.19 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.315 -1.226 0 O-C-N 127.441 3.337 . . . . 0.0 107.893 178.983 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.5 0 O-C-N 124.308 1.689 . . . . 0.0 108.366 178.844 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.589 0 O-C-N 127.043 2.715 . . . . 0.0 112.16 179.994 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.995 0 C-N-CA 126.715 2.006 . . . . 0.0 114.918 -174.467 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.57 1.716 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 175.028 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.294 0 O-C-N 124.927 1.392 . . . . 0.0 113.695 -175.783 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.413 0 CA-C-O 117.415 -1.279 . . . . 0.0 112.79 -179.447 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.253 1.286 0 CA-C-N 121.749 2.068 . . . . 0.0 114.946 179.61 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.311 -1.41 0 C-N-CA 122.136 1.891 . . . . 0.0 113.347 178.064 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.9 0 C-N-CA 129.758 3.223 . . . . 0.0 112.279 178.897 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.053 0 O-C-N 119.364 -2.085 . . . . 0.0 109.552 177.941 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.334 0 CA-C-O 115.622 -2.132 . . . . 0.0 109.279 179.671 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 127.367 2.917 . . . . 0.0 109.406 179.595 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.253 1.256 0 O-C-N 120.278 -1.514 . . . . 0.0 112.904 177.107 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 122.002 0.906 . . . . 0.0 113.323 179.053 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.306 -1.303 0 C-N-CA 126.485 1.914 . . . . 0.0 109.233 179.726 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.788 0 O-C-N 125.145 1.528 . . . . 0.0 110.258 175.867 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.174 0 C-N-CA 127.082 2.153 . . . . 0.0 114.552 178.842 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.005 0 CA-C-O 117.041 -1.977 . . . . 0.0 112.331 178.466 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 118.171 0.985 . . . . 0.0 108.505 179.22 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 176.079 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.248 0.987 0 C-N-CA 123.913 0.885 . . . . 0.0 112.855 -179.491 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.477 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 -175.568 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.109 0 C-N-CA 125.083 1.353 . . . . 0.0 108.122 175.102 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.888 0 O-C-N 124.499 1.125 . . . . 0.0 107.979 177.211 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.947 0 CA-C-N 114.361 -1.29 . . . . 0.0 110.072 -179.893 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-O 115.976 -1.964 . . . . 0.0 112.273 178.835 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.581 0 C-N-CA 126.905 2.082 . . . . 0.0 116.511 -174.858 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.603 0 CA-C-O 122.702 1.239 . . . . 0.0 112.327 -178.894 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.448 -1.198 0 C-N-CA 122.347 2.031 . . . . 0.0 115.146 -179.566 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 107.521 -1.289 . . . . 0.0 107.521 177.616 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.441 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 178.33 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.116 0 O-C-N 118.32 -2.738 . . . . 0.0 114.645 -179.102 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.255 1.346 0 N-CA-C 115.928 1.825 . . . . 0.0 115.928 179.713 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.504 -1.022 0 CA-C-N 120.319 1.15 . . . . 0.0 114.85 -179.601 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.219 1.007 . . . . 0.0 112.047 179.861 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 O-C-N 125.063 1.477 . . . . 0.0 111.507 -179.769 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.255 1.352 0 N-CA-C 116.905 2.187 . . . . 0.0 116.905 179.082 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 127.611 2.365 . . . . 0.0 115.551 -177.997 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.246 0.89 0 N-CA-C 117.11 2.263 . . . . 0.0 117.11 -178.527 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.076 0 CA-C-O 115.737 -2.702 . . . . 0.0 118.92 177.688 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.922 0 CA-C-N 124.122 3.961 . . . . 0.0 111.379 179.706 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-O 115.589 -2.148 . . . . 0.0 106.29 177.54 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.514 0 O-C-N 125.512 1.758 . . . . 0.0 107.665 -178.969 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.481 0 O-C-N 125.792 1.933 . . . . 0.0 111.528 -179.728 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-O 122.131 0.967 . . . . 0.0 110.721 179.422 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.04 0 N-CA-C 106.716 -1.587 . . . . 0.0 106.716 -179.904 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 1.986 0 O-C-N 126.034 2.084 . . . . 0.0 116.215 -179.813 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.802 0 CA-C-O 117.951 -1.023 . . . . 0.0 112.554 -178.253 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 1.984 0 N-CA-C 107.806 -2.117 . . . . 0.0 107.806 -178.438 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 125.378 2.513 . . . . 0.0 112.682 -177.842 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.246 0.904 0 CA-C-N 110.879 -2.873 . . . . 0.0 110.411 179.264 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -0.997 0 O-C-N 126.396 2.31 . . . . 0.0 105.392 176.642 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.387 0 N-CA-C 117.83 2.53 . . . . 0.0 117.83 -176.609 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.829 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 103.775 -2.676 . . . . 0.0 103.775 177.115 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 CA-C-N 112.032 -2.349 . . . . 0.0 108.039 -179.353 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.319 0 N-CA-C 118.539 2.176 . . . . 0.0 118.539 -178.207 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.243 0.73 0 O-C-N 121.449 -1.03 . . . . 0.0 112.237 -179.685 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.664 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -177.196 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.866 0 CA-C-O 124.232 1.967 . . . . 0.0 110.046 -179.78 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.869 0 CA-C-N 113.417 -1.72 . . . . 0.0 108.404 -178.435 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.463 0.496 0 CA-C-N 114.045 -1.434 . . . . 0.0 110.156 179.291 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 124.813 0.949 . . . . 0.0 110.045 179.904 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.247 0.944 0 CA-C-N 114.324 -1.307 . . . . 0.0 109.364 179.286 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.216 0 O-C-N 124.601 1.188 . . . . 0.0 110.215 178.864 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.31 -0.862 0 N-CA-C 119.022 2.369 . . . . 0.0 119.022 -179.657 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.818 0 O-C-N 120.885 -1.362 . . . . 0.0 109.105 179.5 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 178.607 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.889 0 O-C-N 125.742 1.901 . . . . 0.0 110.248 179.125 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.308 0.575 . . . . 0.0 111.905 -179.171 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 115.78 -2.057 . . . . 0.0 108.804 -177.915 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.293 -1.881 0 O-C-N 127.248 2.842 . . . . 0.0 110.327 178.74 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 117.67 -1.157 . . . . 0.0 109.558 -179.675 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 O-C-N 128.132 3.395 . . . . 0.0 112.836 -177.709 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.254 1.297 0 O-C-N 125.141 1.526 . . . . 0.0 111.691 -178.051 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 123.892 0.877 . . . . 0.0 110.208 178.271 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.958 0 N-CA-C 118.045 2.609 . . . . 0.0 118.045 175.662 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.045 0 C-N-CA 124.127 0.971 . . . . 0.0 109.123 177.48 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 127.389 2.931 . . . . 0.0 111.381 -177.957 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.377 0 C-N-CA 129.986 3.314 . . . . 0.0 108.987 178.336 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.96 0 O-C-N 126.757 2.536 . . . . 0.0 113.78 -178.15 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 115.298 1.592 . . . . 0.0 115.298 -178.45 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 124.787 1.304 . . . . 0.0 109.897 178.549 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.388 0 C-N-CA 124.047 0.939 . . . . 0.0 109.191 179.003 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.885 0 C-N-CA 123.468 0.707 . . . . 0.0 112.705 -178.474 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.239 0 CA-C-O 116.963 -1.494 . . . . 0.0 110.99 -177.842 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 CA-C-O 116.729 -1.605 . . . . 0.0 110.687 -176.944 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.147 0 CA-C-N 119.576 1.08 . . . . 0.0 112.838 -178.878 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 124.926 1.29 . . . . 0.0 111.657 -178.449 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 125.008 1.443 . . . . 0.0 108.246 -179.513 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.744 0 O-C-N 126.554 2.408 . . . . 0.0 111.624 -178.961 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 0.983 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.529 177.563 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 -177.781 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 125.677 1.591 . . . . 0.0 111.227 177.406 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 CA--C 1.503 -0.675 0 O-C-N 121.321 -0.862 . . . . 0.0 114.283 -179.409 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.51 -0.586 0 N-CA-C 113.253 0.835 . . . . 0.0 113.253 179.237 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 119.87 -1.769 . . . . 0.0 109.644 -179.324 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.893 0 N-CA-C 116.38 1.993 . . . . 0.0 116.38 -176.984 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 125.268 1.605 . . . . 0.0 110.331 -176.651 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 112.553 -2.112 . . . . 0.0 108.305 176.052 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 N-CA-C 104.518 -2.401 . . . . 0.0 104.518 178.464 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 125.386 1.679 . . . . 0.0 108.286 -177.687 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.304 -1.232 0 O-C-N 125.89 1.994 . . . . 0.0 110.965 -175.539 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.473 0 O-C-N 126.289 2.731 . . . . 0.0 115.074 -176.535 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.527 0 O-C-N 120.431 -1.418 . . . . 0.0 113.867 177.68 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.254 1.339 0 N-CA-C 115.625 1.713 . . . . 0.0 115.625 -176.996 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.263 1.815 0 CA-C-O 115.114 -2.374 . . . . 0.0 112.795 -178.688 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.259 1.602 0 CA-C-N 120.927 1.694 . . . . 0.0 114.882 -178.024 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.311 -1.066 0 C-N-CA 127.054 2.142 . . . . 0.0 111.179 -179.56 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 O-C-N 126.218 2.199 . . . . 0.0 110.451 -179.736 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 125.32 1.448 . . . . 0.0 107.095 177.895 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.716 0 C-N-CA 126.565 1.946 . . . . 0.0 112.603 179.023 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.179 0 CA-C-N 113.219 -1.809 . . . . 0.0 111.408 -177.723 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.14 0 C-N-CA 123.84 0.856 . . . . 0.0 113.188 -179.056 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 104.156 -2.535 . . . . 0.0 104.156 177.431 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 104.757 -2.312 . . . . 0.0 104.757 178.695 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 128.477 3.611 . . . . 0.0 116.93 -175.641 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.316 0 N-CA-C 105.329 -3.108 . . . . 0.0 105.329 177.064 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.366 0 O-C-N 128.542 3.142 . . . . 0.0 106.528 179.816 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.244 0.812 0 C-N-CA 118.91 -1.116 . . . . 0.0 112.668 -177.619 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.737 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 177.546 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.244 0.789 0 CA-C-O 122.505 1.145 . . . . 0.0 108.07 176.415 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.302 0 C-N-CA 121.488 1.459 . . . . 0.0 111.874 -179.745 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 177.029 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 105.404 -2.073 . . . . 0.0 105.404 177.467 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 122.808 1.29 . . . . 0.0 110.119 -176.896 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.179 0 CA-C-N 112.649 -2.069 . . . . 0.0 112.756 179.69 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.219 0 CA-C-N 118.198 0.999 . . . . 0.0 110.686 -179.991 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.919 0 O-C-N 123.466 1.245 . . . . 0.0 111.647 176.897 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.553 1.058 0 N-CA-C 103.18 -2.896 . . . . 0.0 103.18 178.564 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.351 0 O-C-N 126.925 2.64 . . . . 0.0 112.209 -178.714 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.438 -1.743 0 N-CA-C 107.595 -1.733 . . . . 0.0 107.595 -179.307 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.973 0 O-C-N 128.13 3.394 . . . . 0.0 102.997 -179.897 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.974 0 CA-C-O 115.973 -1.965 . . . . 0.0 108.837 179.36 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.815 0 N-CA-C 104.123 -3.591 . . . . 0.0 104.123 -179.613 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.257 1.469 0 CA-C-O 115.687 -2.101 . . . . 0.0 109.465 -177.891 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.732 0 N-CA-C 103.697 -2.705 . . . . 0.0 103.697 -177.995 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.089 0 O-C-N 127.724 3.14 . . . . 0.0 113.53 -179.268 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 106.309 -1.737 . . . . 0.0 106.309 -177.156 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.501 2.971 0 O-C-N 126.317 2.261 . . . . 0.0 107.658 -179.522 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 118.686 -2.655 . . . . 0.0 110.271 -177.077 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--N 1.301 -1.502 1 O-C-N 114.903 -4.873 . . . . 0.0 100.648 -177.236 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.291 0 CA-C-O 115.239 -2.067 . . . . 0.0 112.07 179.993 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.824 0 CA-C-N 120.709 1.595 . . . . 0.0 109.546 177.837 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.409 0 CA-C-N 112.85 -1.977 . . . . 0.0 110.625 178.288 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.311 0 O-C-N 120.917 -1.114 . . . . 0.0 110.433 178.528 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.148 0 O-C-N 125.79 1.931 . . . . 0.0 110.284 -178.371 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.094 0 O-C-N 127.007 2.692 . . . . 0.0 107.043 178.923 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.623 0 CA-C-O 122.233 1.016 . . . . 0.0 112.937 177.881 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.896 0 O-C-N 117.437 -3.289 . . . . 0.0 114.549 179.712 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.8 0 O-C-N 125.638 1.836 . . . . 0.0 108.123 179.502 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.569 1 O-C-N 129.24 4.088 . . . . 0.0 109.753 179.228 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 120.066 -1.646 . . . . 0.0 111.897 179.079 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.504 0 C-N-CA 125.104 1.362 . . . . 0.0 112.751 178.726 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.055 0 C-N-CA 128.016 2.722 . . . . 0.0 114.251 -178.915 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.275 0 C-N-CA 128.273 2.629 . . . . 0.0 111.493 -179.051 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 C-N-CA 117.616 -1.634 . . . . 0.0 107.408 -179.885 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.1 0 CA-C-O 117.294 -1.336 . . . . 0.0 108.997 179.942 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.314 0 C-N-CA 122.883 2.388 . . . . 0.0 111.749 178.65 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.249 1.027 0 O-C-N 118.586 -2.571 . . . . 0.0 115.721 179.975 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.061 0 C-N-CA 126.621 1.968 . . . . 0.0 110.9 177.991 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.928 0 C-N-CA 123.426 2.751 . . . . 0.0 115.454 178.941 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-N 121.279 1.854 . . . . 0.0 113.466 178.013 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 125.018 1.327 . . . . 0.0 108.026 179.983 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.846 0 C-N-CA 119.088 -1.045 . . . . 0.0 109.729 179.135 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.582 -0.699 . . . . 0.0 109.266 179.146 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-N 114.218 -1.355 . . . . 0.0 109.765 179.848 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 119.556 1.071 . . . . 0.0 111.972 -177.99 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-O 117.114 -1.422 . . . . 0.0 111.864 -178.031 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 115.078 1.51 . . . . 0.0 115.078 -178.964 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.489 0 CA-C-N 114.57 -1.196 . . . . 0.0 109.166 179.722 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-O 124.896 2.284 . . . . 0.0 109.39 178.346 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.032 0 CA-C-N 112.728 -2.033 . . . . 0.0 111.308 178.798 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.731 0 CA-C-N 121.136 1.789 . . . . 0.0 112.744 179.851 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 CA-C-O 118.431 -0.795 . . . . 0.0 112.294 -176.311 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 O-C-N 124.133 0.896 . . . . 0.0 109.147 -179.362 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-O 115.22 -2.324 . . . . 0.0 110.899 -178.133 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.227 0 O-C-N 127.596 3.06 . . . . 0.0 111.038 179.001 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.294 -1.821 0 C-N-CA 127.424 2.289 . . . . 0.0 113.744 -177.149 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 125.984 2.052 . . . . 0.0 112.207 -179.9 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.393 0 CA-C-N 121.262 1.846 . . . . 0.0 114.818 179.869 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.598 0 C-N-CA 124.772 1.229 . . . . 0.0 111.408 179.577 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 178.907 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 178.243 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 O-C-N 124.817 1.323 . . . . 0.0 110.025 -178.656 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-N 113.665 -1.607 . . . . 0.0 111.059 178.336 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 127.159 2.184 . . . . 0.0 112.499 -178.503 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 113.654 -1.612 . . . . 0.0 111.98 179.761 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-O 116.757 -1.592 . . . . 0.0 111.653 -178.284 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 126.498 2.374 . . . . 0.0 107.522 178.938 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.042 0 C-N-CA 126.441 1.896 . . . . 0.0 113.16 179.212 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.113 -0.948 . . . . 0.0 109.597 -179.16 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.308 -1.211 0 O-C-N 124.486 1.116 . . . . 0.0 108.214 178.135 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-O 116.573 -1.679 . . . . 0.0 112.095 179.032 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.513 0 N-CA-C 115.89 1.811 . . . . 0.0 115.89 -179.687 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 O-C-N 124.463 1.102 . . . . 0.0 111.072 -177.908 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.136 0 O-C-N 125.425 1.703 . . . . 0.0 111.349 -178.619 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.071 0 C-N-CA 127.247 2.219 . . . . 0.0 107.48 179.118 . . . . . . . . 0 0 . 1 . 049 nuclear build full ' A' A ' 500' ' ' MXT . . . . . 1.04 H121 ' H ' ' A' ' 42' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 600' ' ' MXT . . . . . 0.829 H231 ' O11' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 050 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.702 ' HA ' H121 ' A' ' 500' ' ' MXT . 16.9 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.299 0 O-C-N 125.664 1.852 . . . . 0.0 106.855 170.075 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.735 1 O-C-N 129.187 4.256 . . . . 0.0 107.974 -173.729 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.917 0 CA-C-N 121.003 1.729 . . . . 0.0 112.598 -179.323 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.502 2.168 0 CA-C-N 114.227 -1.351 . . . . 0.0 110.939 179.518 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.2 0 C-N-CA 127.007 2.123 . . . . 0.0 110.236 -176.605 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.46 0 O-C-N 120.889 -1.132 . . . . 0.0 109.837 -172.397 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.587 0 N-CA-C 105.887 -1.894 . . . . 0.0 105.887 -174.971 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 127.166 2.791 . . . . 0.0 107.798 -177.971 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.572 1.789 0 CA-C-O 115.437 -2.221 . . . . 0.0 106.426 176.58 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.556 1 O-C-N 130.654 4.971 . . . . 0.0 106.332 178.287 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.154 0 CA-C-O 113.742 -3.027 . . . . 0.0 105.878 -179.831 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.466 0 CA-C-N 121.156 1.798 . . . . 0.0 110.032 -177.812 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.789 0 O-C-N 125.864 1.977 . . . . 0.0 105.792 -176.598 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.348 0 O-C-N 127.519 3.012 . . . . 0.0 112.74 -176.34 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.937 0 O-C-N 127.252 2.845 . . . . 0.0 112.258 177.639 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.931 0 O-C-N 119.068 -2.27 . . . . 0.0 111.896 -179.653 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.332 -0.193 0 O-C-N 126.632 2.457 . . . . 0.0 109.72 -174.922 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.738 0 C-N-CA 124.699 3.599 . . . . 0.0 111.953 179.718 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.845 0 CA-C-N 111.685 -2.507 . . . . 0.0 106.709 179.193 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.262 0 O-C-N 127.522 3.38 . . . . 0.0 107.884 178.996 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.52 0 C-N-CA 121.828 1.685 . . . . 0.0 108.305 178.871 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.58 0 O-C-N 127.079 2.737 . . . . 0.0 112.186 179.889 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.989 0 C-N-CA 126.75 2.02 . . . . 0.0 114.862 -174.391 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.7 0 N-CA-C 107.726 -1.212 . . . . 0.0 107.726 175.011 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 124.859 1.35 . . . . 0.0 113.647 -175.821 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.404 0 CA-C-O 117.412 -1.28 . . . . 0.0 112.807 -179.431 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.304 0 CA-C-N 121.729 2.058 . . . . 0.0 114.938 179.649 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.485 0 C-N-CA 122.195 1.93 . . . . 0.0 113.272 178.099 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.292 -1.898 0 C-N-CA 129.772 3.229 . . . . 0.0 112.284 178.872 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.045 0 O-C-N 119.465 -2.022 . . . . 0.0 109.542 177.981 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.336 0 CA-C-O 115.519 -2.182 . . . . 0.0 109.221 179.725 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 127.412 2.945 . . . . 0.0 109.385 179.561 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.233 0 O-C-N 120.281 -1.512 . . . . 0.0 112.885 177.183 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 122.022 0.915 . . . . 0.0 113.347 179.067 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.28 0 C-N-CA 126.458 1.903 . . . . 0.0 109.239 179.753 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.296 -1.741 0 O-C-N 125.066 1.478 . . . . 0.0 110.253 175.897 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.161 0 C-N-CA 127.077 2.151 . . . . 0.0 114.568 178.822 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.027 0 CA-C-O 117.098 -1.946 . . . . 0.0 112.369 178.458 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-N 118.121 0.96 . . . . 0.0 108.486 179.336 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 176.032 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.943 0 C-N-CA 123.934 0.894 . . . . 0.0 112.846 -179.485 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.468 0 N-CA-C 115.019 1.489 . . . . 0.0 115.019 -175.544 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.31 -1.111 0 C-N-CA 124.98 1.312 . . . . 0.0 108.066 175.073 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 177.256 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.21 -0.981 0 CA-C-N 114.276 -1.329 . . . . 0.0 110.02 -179.862 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-O 115.982 -1.961 . . . . 0.0 112.306 178.777 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.548 0 C-N-CA 126.858 2.063 . . . . 0.0 116.547 -174.855 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.577 0 CA-C-O 122.741 1.257 . . . . 0.0 112.276 -178.925 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 122.399 2.066 . . . . 0.0 115.129 -179.57 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 177.613 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.257 1.452 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 178.314 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.498 -1.057 0 O-C-N 118.3 -2.75 . . . . 0.0 114.607 -179.032 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.33 0 N-CA-C 115.984 1.846 . . . . 0.0 115.984 179.694 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.026 0 CA-C-N 120.284 1.137 . . . . 0.0 114.867 -179.645 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.253 1.021 . . . . 0.0 112.011 179.862 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 O-C-N 125.038 1.461 . . . . 0.0 111.456 -179.744 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.29 0 N-CA-C 116.913 2.19 . . . . 0.0 116.913 179.151 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 127.637 2.375 . . . . 0.0 115.558 -178.074 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.838 0 N-CA-C 117.109 2.263 . . . . 0.0 117.109 -178.544 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.07 0 CA-C-O 115.65 -2.75 . . . . 0.0 118.893 177.678 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.29 -1.98 0 CA-C-N 124.155 3.977 . . . . 0.0 111.398 179.701 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-O 115.65 -2.119 . . . . 0.0 106.305 177.558 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.302 -1.474 0 O-C-N 125.45 1.719 . . . . 0.0 107.618 -178.975 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.46 0 O-C-N 125.828 1.955 . . . . 0.0 111.46 -179.626 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-O 122.173 0.987 . . . . 0.0 110.666 179.482 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.05 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 -179.892 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 1.981 0 O-C-N 125.997 2.061 . . . . 0.0 116.216 -179.799 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.774 0 CA-C-O 117.99 -1.005 . . . . 0.0 112.623 -178.226 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.485 1.96 0 N-CA-C 107.798 -2.121 . . . . 0.0 107.798 -178.417 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 125.341 2.496 . . . . 0.0 112.65 -177.779 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.246 0.871 0 CA-C-N 110.91 -2.859 . . . . 0.0 110.402 179.236 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.314 -0.956 0 O-C-N 126.319 2.262 . . . . 0.0 105.43 176.641 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.391 0 N-CA-C 117.777 2.51 . . . . 0.0 117.777 -176.501 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 178.823 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 103.856 -2.646 . . . . 0.0 103.856 177.048 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 CA-C-N 112.03 -2.35 . . . . 0.0 107.959 -179.241 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.252 1.258 0 N-CA-C 118.519 2.168 . . . . 0.0 118.519 -178.244 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.696 0 O-C-N 121.482 -1.011 . . . . 0.0 112.252 -179.671 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.692 0 N-CA-C 112.624 0.601 . . . . 0.0 112.624 -177.193 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 124.235 1.969 . . . . 0.0 110.067 -179.802 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-N 113.439 -1.71 . . . . 0.0 108.401 -178.426 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.463 0.499 0 CA-C-N 113.991 -1.459 . . . . 0.0 110.209 179.268 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 124.809 0.946 . . . . 0.0 109.996 179.936 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.984 0 CA-C-N 114.382 -1.281 . . . . 0.0 109.342 179.317 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.201 0 O-C-N 124.51 1.131 . . . . 0.0 110.179 178.888 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 CA--C 1.501 -0.803 0 N-CA-C 119.068 2.387 . . . . 0.0 119.068 -179.664 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.835 0 O-C-N 120.858 -1.378 . . . . 0.0 109.059 179.529 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 107.062 -1.458 . . . . 0.0 107.062 178.608 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.898 0 O-C-N 125.695 1.872 . . . . 0.0 110.272 179.136 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.326 0.584 . . . . 0.0 111.914 -179.172 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 115.746 -2.073 . . . . 0.0 108.776 -177.901 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.293 -1.867 0 O-C-N 127.254 2.846 . . . . 0.0 110.398 178.714 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 117.639 -1.172 . . . . 0.0 109.597 -179.717 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 O-C-N 128.153 3.408 . . . . 0.0 112.814 -177.743 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.254 1.302 0 O-C-N 125.122 1.514 . . . . 0.0 111.73 -178.038 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.318 -0.761 0 C-N-CA 123.858 0.863 . . . . 0.0 110.241 178.224 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 118.021 2.6 . . . . 0.0 118.021 175.641 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.024 0 C-N-CA 124.107 0.963 . . . . 0.0 109.131 177.487 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 127.446 2.966 . . . . 0.0 111.372 -177.916 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 129.98 3.312 . . . . 0.0 109.014 178.279 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.962 0 O-C-N 126.754 2.534 . . . . 0.0 113.758 -178.112 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 115.256 1.576 . . . . 0.0 115.256 -178.395 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 124.727 1.267 . . . . 0.0 109.988 178.502 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.404 0 C-N-CA 123.992 0.917 . . . . 0.0 109.182 178.997 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.885 0 C-N-CA 123.445 0.698 . . . . 0.0 112.679 -178.415 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-O 117.015 -1.469 . . . . 0.0 110.97 -177.803 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.641 0 CA-C-O 116.729 -1.605 . . . . 0.0 110.701 -176.944 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.138 0 CA-C-N 119.562 1.074 . . . . 0.0 112.821 -178.854 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.431 -1.406 0 C-N-CA 124.929 1.292 . . . . 0.0 111.656 -178.472 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 125.039 1.462 . . . . 0.0 108.302 -179.533 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 126.554 2.409 . . . . 0.0 111.635 -178.966 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.249 1.037 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.513 177.556 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -177.741 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.543 0 C-N-CA 125.637 1.575 . . . . 0.0 111.216 177.425 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.466 0.654 0 O-C-N 121.324 -0.86 . . . . 0.0 114.248 -179.457 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.508 -0.64 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 179.238 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 119.786 -1.821 . . . . 0.0 109.606 -179.318 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 116.356 1.984 . . . . 0.0 116.356 -176.967 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.306 -1.295 0 O-C-N 125.214 1.571 . . . . 0.0 110.316 -176.662 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 112.53 -2.123 . . . . 0.0 108.285 176.092 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 N-CA-C 104.555 -2.387 . . . . 0.0 104.555 178.428 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 125.444 1.715 . . . . 0.0 108.276 -177.646 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.289 0 O-C-N 125.866 1.979 . . . . 0.0 110.992 -175.568 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.442 0 O-C-N 126.283 2.728 . . . . 0.0 115.023 -176.5 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.259 1.568 0 O-C-N 120.411 -1.431 . . . . 0.0 113.827 177.687 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.256 1.409 0 N-CA-C 115.555 1.687 . . . . 0.0 115.555 -176.951 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.263 1.803 0 CA-C-O 115.09 -2.386 . . . . 0.0 112.781 -178.712 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.607 0 CA-C-N 120.895 1.68 . . . . 0.0 114.861 -178.009 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.045 0 C-N-CA 127.012 2.125 . . . . 0.0 111.207 -179.56 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 O-C-N 126.229 2.206 . . . . 0.0 110.463 -179.752 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 125.348 1.459 . . . . 0.0 107.066 177.874 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.725 0 C-N-CA 126.587 1.955 . . . . 0.0 112.585 178.996 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.183 0 CA-C-N 113.209 -1.814 . . . . 0.0 111.39 -177.688 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.145 0 C-N-CA 123.879 0.872 . . . . 0.0 113.164 -179.069 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 104.162 -2.532 . . . . 0.0 104.162 177.474 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 104.824 -2.287 . . . . 0.0 104.824 178.66 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 128.476 3.61 . . . . 0.0 116.997 -175.618 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.321 0 N-CA-C 105.322 -3.111 . . . . 0.0 105.322 177.083 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.354 0 O-C-N 128.499 3.117 . . . . 0.0 106.538 179.782 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.848 0 C-N-CA 118.97 -1.092 . . . . 0.0 112.681 -177.61 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.77 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 177.539 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.837 0 CA-C-O 122.456 1.122 . . . . 0.0 108.078 176.474 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.299 0 C-N-CA 121.459 1.439 . . . . 0.0 111.864 -179.694 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 177.043 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 105.362 -2.088 . . . . 0.0 105.362 177.52 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 122.769 1.271 . . . . 0.0 110.109 -176.901 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.192 0 CA-C-N 112.631 -2.077 . . . . 0.0 112.773 179.493 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.307 -1.241 0 CA-C-N 118.16 0.98 . . . . 0.0 110.702 179.71 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.95 0 O-C-N 123.501 1.264 . . . . 0.0 111.657 177.368 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.021 0 N-CA-C 103.178 -2.897 . . . . 0.0 103.178 178.531 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.306 -1.318 0 O-C-N 126.864 2.602 . . . . 0.0 112.279 -178.599 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.702 0 N-CA-C 107.552 -1.749 . . . . 0.0 107.552 179.663 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.944 0 O-C-N 128.143 3.402 . . . . 0.0 102.976 179.534 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.988 0 CA-C-O 116.008 -1.948 . . . . 0.0 108.827 179.87 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.544 1.853 0 N-CA-C 104.094 -3.602 . . . . 0.0 104.094 -179.989 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.535 0 CA-C-O 115.654 -2.117 . . . . 0.0 109.509 -179.406 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.742 0 N-CA-C 103.68 -2.711 . . . . 0.0 103.68 -176.87 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.498 -1.038 0 O-C-N 127.773 3.171 . . . . 0.0 113.53 -176.953 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 106.314 -1.736 . . . . 0.0 106.314 -177.727 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.958 0 O-C-N 126.298 2.249 . . . . 0.0 107.627 -178.889 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 120.457 -1.614 . . . . 0.0 110.271 -179.237 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.253 1.282 0 N-CA-C 100.648 -3.834 . . . . 0.0 100.648 177.137 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.445 -1.34 0 CA-C-O 115.215 -2.077 . . . . 0.0 112.108 -178.943 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.807 0 CA-C-N 120.712 1.596 . . . . 0.0 109.53 177.813 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.274 2.393 0 CA-C-N 112.851 -1.977 . . . . 0.0 110.623 178.309 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.284 0 O-C-N 120.933 -1.104 . . . . 0.0 110.401 178.574 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.168 0 O-C-N 125.799 1.937 . . . . 0.0 110.289 -178.393 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.289 -2.051 0 O-C-N 127.081 2.738 . . . . 0.0 107.0 179.012 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.484 -1.595 0 CA-C-O 122.208 1.004 . . . . 0.0 112.895 177.928 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.919 0 O-C-N 117.468 -3.27 . . . . 0.0 114.6 179.729 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.82 0 O-C-N 125.639 1.837 . . . . 0.0 108.144 179.484 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.58 1 O-C-N 129.31 4.131 . . . . 0.0 109.764 179.173 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 120.097 -1.627 . . . . 0.0 111.846 179.105 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 125.07 1.348 . . . . 0.0 112.802 178.701 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.29 -2.008 0 C-N-CA 127.995 2.712 . . . . 0.0 114.349 179.946 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.284 0 C-N-CA 128.259 2.624 . . . . 0.0 111.522 179.136 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 C-N-CA 117.592 -1.643 . . . . 0.0 107.437 177.414 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.088 0 CA-C-O 117.332 -1.318 . . . . 0.0 108.951 -179.11 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 N--CA 1.49 1.289 0 C-N-CA 122.867 2.378 . . . . 0.0 111.727 177.605 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.249 1.028 0 O-C-N 118.692 -2.505 . . . . 0.0 115.727 -179.322 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.064 0 C-N-CA 126.608 1.963 . . . . 0.0 110.934 178.974 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.506 -0.919 0 C-N-CA 123.43 2.754 . . . . 0.0 115.501 -179.627 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.704 0 CA-C-N 121.323 1.874 . . . . 0.0 113.42 178.018 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 124.935 1.294 . . . . 0.0 108.033 -179.991 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.845 0 C-N-CA 119.091 -1.044 . . . . 0.0 109.765 179.122 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.623 -0.673 . . . . 0.0 109.297 179.106 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 C--O 1.243 0.751 0 CA-C-N 114.259 -1.337 . . . . 0.0 109.757 179.819 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.307 -1.275 0 CA-C-N 119.581 1.082 . . . . 0.0 111.957 -177.956 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-O 117.101 -1.428 . . . . 0.0 111.845 -178.025 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 115.059 1.503 . . . . 0.0 115.059 -178.934 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.256 1.438 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.166 179.713 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-O 124.854 2.264 . . . . 0.0 109.456 178.316 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.497 -1.063 0 CA-C-N 112.737 -2.029 . . . . 0.0 111.309 178.767 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-N 121.171 1.805 . . . . 0.0 112.724 179.875 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.253 1.278 0 CA-C-O 118.436 -0.792 . . . . 0.0 112.283 -176.297 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 O-C-N 124.085 0.865 . . . . 0.0 109.113 -179.353 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-O 115.215 -2.326 . . . . 0.0 110.879 -178.09 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.229 0 O-C-N 127.564 3.04 . . . . 0.0 110.986 179.017 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.803 0 C-N-CA 127.404 2.281 . . . . 0.0 113.785 -177.177 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 125.971 2.044 . . . . 0.0 112.223 -179.954 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.385 0 CA-C-N 121.284 1.856 . . . . 0.0 114.798 179.852 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.568 0 C-N-CA 124.78 1.232 . . . . 0.0 111.439 179.575 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 178.896 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.226 0 N-CA-C 107.297 -1.372 . . . . 0.0 107.297 178.212 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 O-C-N 124.806 1.316 . . . . 0.0 110.036 -178.709 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-N 113.669 -1.605 . . . . 0.0 111.013 178.385 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.302 -1.472 0 C-N-CA 127.117 2.167 . . . . 0.0 112.56 -178.577 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 113.667 -1.606 . . . . 0.0 111.993 179.77 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.243 0.726 0 CA-C-O 116.759 -1.591 . . . . 0.0 111.643 -178.269 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 126.438 2.336 . . . . 0.0 107.573 178.855 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.062 0 C-N-CA 126.406 1.882 . . . . 0.0 113.14 179.253 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.611 -179.195 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.308 -1.213 0 O-C-N 124.447 1.092 . . . . 0.0 108.231 178.137 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 116.587 -1.673 . . . . 0.0 112.16 179.001 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.501 0 N-CA-C 115.911 1.819 . . . . 0.0 115.911 -179.732 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 O-C-N 124.498 1.124 . . . . 0.0 111.093 -177.946 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.135 0 O-C-N 125.435 1.709 . . . . 0.0 111.333 -178.659 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.1 0 C-N-CA 127.298 2.239 . . . . 0.0 107.446 179.085 . . . . . . . . 0 0 . 1 . 050 nuclear build full ' A' A ' 500' ' ' MXT . . . . . 0.912 ' O11' H231 ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 600' ' ' MXT . . . . . 0.798 H231 ' O11' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 24.3 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 16.8 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 6.5 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 16.2 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 43.3 t -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.1 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 20.3 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 18.7 m -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 25.8 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.8 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.7 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 31.9 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 6.6 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 25.6 t -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 22.6 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.432 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 1.7 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.3 m -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 43.4 t -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.417 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 0.5 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 25.8 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 24.6 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 8.9 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.5 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 13.9 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.7 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 21.0 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 10.2 t -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 23.4 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.0 m -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 31.6 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 15.2 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 m -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 044 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.456 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 0.5 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 044 nuclear nobuild core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 045 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 045 nuclear nobuild core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 43.1 t -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 047 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 31.5 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 047 nuclear nobuild core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 048 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.9 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 048 nuclear nobuild core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 049 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 29.2 m -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 049 nuclear nobuild core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 050 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.449 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 16.9 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 0 0 . 1 . 050 nuclear nobuild core ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 117.633 -1.175 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild core ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.521 ' HA ' H121 ' A' ' 500' ' ' MXT . 24.3 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.79 ' N ' ' O12' ' A' ' 500' ' ' MXT . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.313 0 O-C-N 125.664 1.852 . . . . 0.0 106.868 172.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.711 1 O-C-N 129.166 4.245 . . . . 0.0 107.936 -176.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.913 0 CA-C-N 121.032 1.742 . . . . 0.0 112.665 -178.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.197 0 CA-C-N 114.198 -1.365 . . . . 0.0 110.888 -177.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.218 0 C-N-CA 126.982 2.113 . . . . 0.0 110.226 -177.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.461 0 O-C-N 120.871 -1.143 . . . . 0.0 109.853 178.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.585 0 N-CA-C 105.953 -1.869 . . . . 0.0 105.953 -177.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 127.181 2.801 . . . . 0.0 107.833 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.572 1.807 0 CA-C-O 115.447 -2.216 . . . . 0.0 106.401 176.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.538 1 O-C-N 130.685 4.99 . . . . 0.0 106.28 178.053 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.134 0 CA-C-O 113.772 -3.013 . . . . 0.0 105.856 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.467 0 CA-C-N 121.155 1.798 . . . . 0.0 110.002 -177.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 125.947 2.029 . . . . 0.0 105.774 -176.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.356 0 O-C-N 127.485 2.99 . . . . 0.0 112.74 -176.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.267 1.98 0 O-C-N 127.229 2.831 . . . . 0.0 112.24 177.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 122.167 2.258 . . . . 0.0 111.918 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--O 1.225 -0.228 0 O-C-N 126.692 2.495 . . . . 0.0 109.72 -174.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.325 -0.699 0 C-N-CA 124.679 3.586 . . . . 0.0 111.915 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.83 0 CA-C-N 111.763 -2.471 . . . . 0.0 106.746 179.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.251 0 O-C-N 127.506 3.371 . . . . 0.0 107.946 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.513 0 CA-C-O 116.164 -1.682 . . . . 0.0 108.313 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.428 -1.563 0 O-C-N 127.108 2.755 . . . . 0.0 112.138 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -2.005 0 C-N-CA 126.784 2.034 . . . . 0.0 114.918 -174.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.69 0 N-CA-C 107.699 -1.222 . . . . 0.0 107.699 175.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 124.898 1.374 . . . . 0.0 113.661 -175.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.257 1.453 0 CA-C-O 117.379 -1.296 . . . . 0.0 112.759 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.301 0 CA-C-N 121.783 2.083 . . . . 0.0 114.971 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.46 0 C-N-CA 122.161 1.907 . . . . 0.0 113.309 178.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.293 -1.89 0 C-N-CA 129.793 3.237 . . . . 0.0 112.27 178.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.037 0 O-C-N 119.411 -2.055 . . . . 0.0 109.53 177.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.559 1.318 0 CA-C-O 115.57 -2.157 . . . . 0.0 109.264 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 127.414 2.946 . . . . 0.0 109.404 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.253 1.242 0 O-C-N 120.296 -1.502 . . . . 0.0 112.89 177.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-O 122.018 0.913 . . . . 0.0 113.366 179.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.261 0 C-N-CA 126.465 1.906 . . . . 0.0 109.264 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.766 0 O-C-N 125.151 1.532 . . . . 0.0 110.237 175.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.166 0 C-N-CA 127.056 2.142 . . . . 0.0 114.582 178.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.001 0 CA-C-O 117.072 -1.96 . . . . 0.0 112.304 178.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-N 118.177 0.988 . . . . 0.0 108.474 179.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 176.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.246 0.92 0 C-N-CA 123.904 0.882 . . . . 0.0 112.844 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.256 1.436 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 -175.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.074 0 C-N-CA 125.033 1.333 . . . . 0.0 108.095 175.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 177.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.953 0 CA-C-N 114.287 -1.324 . . . . 0.0 110.045 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-O 116.001 -1.952 . . . . 0.0 112.34 178.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.278 -2.533 0 N-CA-C 116.56 2.059 . . . . 0.0 116.56 -174.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.579 0 CA-C-O 122.742 1.258 . . . . 0.0 112.322 -178.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 122.403 2.069 . . . . 0.0 115.079 -179.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 177.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.425 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 178.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.497 -1.086 0 O-C-N 118.351 -2.718 . . . . 0.0 114.67 -179.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.315 0 N-CA-C 115.978 1.844 . . . . 0.0 115.978 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.502 -1.079 0 CA-C-N 120.298 1.142 . . . . 0.0 114.849 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.315 1.046 . . . . 0.0 112.015 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 O-C-N 125.154 1.534 . . . . 0.0 111.516 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.318 0 N-CA-C 116.901 2.186 . . . . 0.0 116.901 179.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 127.657 2.383 . . . . 0.0 115.533 -177.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.849 0 N-CA-C 117.148 2.277 . . . . 0.0 117.148 -178.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.042 0 CA-C-O 115.693 -2.726 . . . . 0.0 118.869 177.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.967 0 CA-C-N 124.171 3.985 . . . . 0.0 111.354 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-O 115.652 -2.118 . . . . 0.0 106.289 177.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.302 -1.481 0 O-C-N 125.484 1.74 . . . . 0.0 107.625 -178.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.47 0 O-C-N 125.789 1.931 . . . . 0.0 111.429 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-O 122.123 0.964 . . . . 0.0 110.687 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.248 1.012 0 N-CA-C 106.757 -1.572 . . . . 0.0 106.757 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.266 1.955 0 O-C-N 126.031 2.082 . . . . 0.0 116.221 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.769 0 CA-C-O 117.951 -1.023 . . . . 0.0 112.602 -178.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 1.991 0 N-CA-C 107.836 -2.106 . . . . 0.0 107.836 -178.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 125.332 2.492 . . . . 0.0 112.683 -177.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.851 0 CA-C-N 110.951 -2.84 . . . . 0.0 110.426 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.314 -0.969 0 O-C-N 126.38 2.3 . . . . 0.0 105.375 176.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.391 0 N-CA-C 117.778 2.51 . . . . 0.0 117.778 -176.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 178.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 103.854 -2.647 . . . . 0.0 103.854 177.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 CA-C-N 112.016 -2.356 . . . . 0.0 108.037 -179.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.288 0 N-CA-C 118.503 2.161 . . . . 0.0 118.503 -178.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.688 0 CA-C-N 118.212 1.006 . . . . 0.0 112.245 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.697 0 O-C-N 123.684 0.615 . . . . 0.0 112.589 -177.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 124.175 1.94 . . . . 0.0 110.105 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.893 0 CA-C-N 113.441 -1.709 . . . . 0.0 108.389 -178.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 C--N 1.318 -0.449 0 CA-C-N 114.045 -1.434 . . . . 0.0 110.248 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.328 -0.332 0 O-C-N 124.857 0.975 . . . . 0.0 109.986 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 1.023 0 CA-C-N 114.377 -1.283 . . . . 0.0 109.376 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.203 0 O-C-N 124.523 1.139 . . . . 0.0 110.253 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.815 0 N-CA-C 119.028 2.371 . . . . 0.0 119.028 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.824 0 O-C-N 120.935 -1.332 . . . . 0.0 109.088 179.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 107.044 -1.465 . . . . 0.0 107.044 178.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.877 0 O-C-N 125.68 1.862 . . . . 0.0 110.29 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.343 0.592 . . . . 0.0 111.912 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 115.718 -2.087 . . . . 0.0 108.799 -177.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.906 0 O-C-N 127.269 2.856 . . . . 0.0 110.39 178.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-O 117.675 -1.155 . . . . 0.0 109.572 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 O-C-N 128.149 3.405 . . . . 0.0 112.821 -177.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.252 1.219 0 O-C-N 125.067 1.479 . . . . 0.0 111.745 -178.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 123.878 0.871 . . . . 0.0 110.202 178.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.951 0 N-CA-C 118.01 2.596 . . . . 0.0 118.01 175.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.311 -1.069 0 C-N-CA 124.129 0.971 . . . . 0.0 109.086 177.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 127.411 2.944 . . . . 0.0 111.344 -177.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.305 -1.359 0 C-N-CA 129.981 3.313 . . . . 0.0 108.961 178.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.246 0.904 0 O-C-N 126.75 2.531 . . . . 0.0 113.744 -178.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 115.27 1.581 . . . . 0.0 115.27 -178.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 124.719 1.262 . . . . 0.0 109.883 178.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 124.007 0.923 . . . . 0.0 109.153 179.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.875 0 C-N-CA 123.455 0.702 . . . . 0.0 112.734 -178.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-O 117.019 -1.467 . . . . 0.0 111.023 -177.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 CA-C-O 116.71 -1.614 . . . . 0.0 110.667 -176.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.252 1.194 0 CA-C-N 119.599 1.09 . . . . 0.0 112.836 -178.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 124.968 1.307 . . . . 0.0 111.654 -178.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 125.054 1.471 . . . . 0.0 108.328 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 126.572 2.42 . . . . 0.0 111.625 -178.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.025 0 C-N-CA 120.17 -0.612 . . . . 0.0 110.536 177.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 114.287 1.217 . . . . 0.0 114.287 -177.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 125.659 1.584 . . . . 0.0 111.267 177.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 C--O 1.242 0.648 0 O-C-N 121.269 -0.894 . . . . 0.0 114.249 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.606 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 119.826 -1.796 . . . . 0.0 109.656 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.901 0 N-CA-C 116.336 1.976 . . . . 0.0 116.336 -176.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 125.27 1.606 . . . . 0.0 110.287 -176.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 112.553 -2.112 . . . . 0.0 108.32 176.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 N-CA-C 104.507 -2.405 . . . . 0.0 104.507 178.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.785 0 O-C-N 125.382 1.677 . . . . 0.0 108.28 -177.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.302 -1.306 0 O-C-N 125.912 2.008 . . . . 0.0 110.998 -175.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.455 0 O-C-N 126.324 2.75 . . . . 0.0 115.043 -176.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.257 1.481 0 O-C-N 120.388 -1.445 . . . . 0.0 113.814 177.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.345 0 N-CA-C 115.597 1.702 . . . . 0.0 115.597 -176.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.263 1.8 0 CA-C-O 115.073 -2.394 . . . . 0.0 112.818 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.261 1.664 0 CA-C-N 120.915 1.689 . . . . 0.0 114.824 -178.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.063 0 C-N-CA 127.061 2.145 . . . . 0.0 111.156 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 O-C-N 126.202 2.189 . . . . 0.0 110.468 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 177.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.711 0 C-N-CA 126.572 1.949 . . . . 0.0 112.633 179.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.252 1.201 0 CA-C-N 113.173 -1.831 . . . . 0.0 111.413 -177.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.309 -1.173 0 C-N-CA 123.881 0.873 . . . . 0.0 113.146 -179.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 104.166 -2.531 . . . . 0.0 104.166 177.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 104.823 -2.288 . . . . 0.0 104.823 178.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 128.514 3.634 . . . . 0.0 116.967 -175.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.582 4.271 0 N-CA-C 105.337 -3.105 . . . . 0.0 105.337 177.057 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.343 0 O-C-N 128.489 3.111 . . . . 0.0 106.583 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.824 0 C-N-CA 118.903 -1.119 . . . . 0.0 112.696 -177.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.747 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 177.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.82 0 CA-C-O 122.467 1.127 . . . . 0.0 108.083 176.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 121.468 1.446 . . . . 0.0 111.868 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 177.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 105.329 -2.1 . . . . 0.0 105.329 177.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 122.765 1.269 . . . . 0.0 110.092 -176.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.173 0 CA-C-N 112.654 -2.066 . . . . 0.0 112.764 -179.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.202 0 CA-C-N 118.186 0.993 . . . . 0.0 110.752 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.929 0 O-C-N 123.45 1.237 . . . . 0.0 111.58 177.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 103.183 -2.895 . . . . 0.0 103.183 178.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.348 0 O-C-N 126.89 2.619 . . . . 0.0 112.24 -178.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.684 0 N-CA-C 107.586 -1.736 . . . . 0.0 107.586 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.97 0 O-C-N 128.076 3.36 . . . . 0.0 102.996 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.985 0 CA-C-O 116.033 -1.937 . . . . 0.0 108.782 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.839 0 N-CA-C 104.118 -3.593 . . . . 0.0 104.118 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.527 0 CA-C-O 115.687 -2.101 . . . . 0.0 109.489 -178.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.73 0 N-CA-C 103.739 -2.689 . . . . 0.0 103.739 -178.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.498 -1.054 0 O-C-N 127.722 3.139 . . . . 0.0 113.532 -176.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 106.321 -1.733 . . . . 0.0 106.321 -178.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.951 0 O-C-N 126.308 2.255 . . . . 0.0 107.661 -178.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.882 -1.952 . . . . 0.0 110.271 -177.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--N 1.306 -1.3 0 N-CA-C 100.645 -3.835 . . . . 0.0 100.645 176.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.445 -1.332 0 CA-C-O 115.267 -2.055 . . . . 0.0 112.154 -178.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.272 -2.798 0 CA-C-N 120.693 1.588 . . . . 0.0 109.555 177.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.414 0 CA-C-N 112.828 -1.987 . . . . 0.0 110.594 178.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.434 -1.263 0 O-C-N 120.97 -1.081 . . . . 0.0 110.428 178.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.556 1.182 0 O-C-N 125.78 1.925 . . . . 0.0 110.278 -178.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.079 0 O-C-N 127.034 2.709 . . . . 0.0 107.007 178.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.622 0 CA-C-O 122.228 1.014 . . . . 0.0 112.925 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.442 -0.857 0 O-C-N 117.451 -3.281 . . . . 0.0 114.591 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.799 0 O-C-N 125.591 1.807 . . . . 0.0 108.141 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.582 1 O-C-N 129.207 4.067 . . . . 0.0 109.783 179.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 120.01 -1.681 . . . . 0.0 111.849 179.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.53 0 C-N-CA 125.127 1.371 . . . . 0.0 112.807 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.29 -2.019 0 C-N-CA 127.984 2.707 . . . . 0.0 114.327 -178.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.282 0 C-N-CA 128.222 2.609 . . . . 0.0 111.502 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 C-N-CA 117.599 -1.64 . . . . 0.0 107.381 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.287 -2.137 0 CA-C-O 117.295 -1.335 . . . . 0.0 108.967 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.314 -1.289 0 C-N-CA 122.904 2.403 . . . . 0.0 111.722 178.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.005 0 O-C-N 118.67 -2.519 . . . . 0.0 115.73 -177.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.034 0 C-N-CA 126.62 1.968 . . . . 0.0 110.912 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.945 0 C-N-CA 123.424 2.749 . . . . 0.0 115.524 176.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-N 121.267 1.849 . . . . 0.0 113.426 177.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 124.958 1.303 . . . . 0.0 108.047 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.246 0.871 0 C-N-CA 119.084 -1.047 . . . . 0.0 109.725 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.622 -0.674 . . . . 0.0 109.3 179.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-N 114.226 -1.352 . . . . 0.0 109.755 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-N 119.585 1.084 . . . . 0.0 111.973 -178.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 117.108 -1.425 . . . . 0.0 111.886 -178.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 115.046 1.499 . . . . 0.0 115.046 -178.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.453 0 CA-C-N 114.581 -1.191 . . . . 0.0 109.187 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-O 124.897 2.284 . . . . 0.0 109.42 178.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.032 0 CA-C-N 112.717 -2.038 . . . . 0.0 111.327 178.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.743 0 CA-C-N 121.127 1.785 . . . . 0.0 112.735 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.253 1.266 0 CA-C-O 118.447 -0.787 . . . . 0.0 112.3 -176.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 O-C-N 124.114 0.884 . . . . 0.0 109.176 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.307 -1.262 0 CA-C-O 115.252 -2.308 . . . . 0.0 110.937 -178.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.309 -1.194 0 O-C-N 127.595 3.059 . . . . 0.0 111.061 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.778 0 C-N-CA 127.35 2.26 . . . . 0.0 113.738 -177.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 125.986 2.054 . . . . 0.0 112.205 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.376 0 CA-C-N 121.316 1.871 . . . . 0.0 114.821 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.598 0 C-N-CA 124.806 1.243 . . . . 0.0 111.432 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 178.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 178.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 O-C-N 124.833 1.333 . . . . 0.0 110.052 -178.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.368 0 CA-C-N 113.649 -1.614 . . . . 0.0 111.045 178.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 127.153 2.181 . . . . 0.0 112.547 -178.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 113.688 -1.596 . . . . 0.0 111.991 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-O 116.777 -1.582 . . . . 0.0 111.69 -178.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 126.516 2.385 . . . . 0.0 107.564 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.07 0 C-N-CA 126.4 1.88 . . . . 0.0 113.158 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.626 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.192 0 O-C-N 124.381 1.051 . . . . 0.0 108.212 178.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-O 116.541 -1.695 . . . . 0.0 112.093 179.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.523 0 N-CA-C 115.907 1.817 . . . . 0.0 115.907 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 O-C-N 124.455 1.097 . . . . 0.0 111.082 -177.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.118 0 O-C-N 125.438 1.711 . . . . 0.0 111.365 -178.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.063 0 C-N-CA 127.243 2.217 . . . . 0.0 107.485 179.117 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 500' ' ' MXT . . . . . 0.879 ' O11' H231 ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 600' ' ' MXT . . . . . 0.748 ' O12' H231 ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 1.267 ' CA ' H122 ' A' ' 500' ' ' MXT . 16.8 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.78 ' N ' ' O12' ' A' ' 500' ' ' MXT . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.296 0 O-C-N 125.664 1.852 . . . . 0.0 106.913 172.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.729 1 O-C-N 129.199 4.263 . . . . 0.0 107.982 -177.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.896 0 CA-C-N 121.002 1.728 . . . . 0.0 112.631 -178.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.194 0 CA-C-N 114.24 -1.345 . . . . 0.0 110.888 -178.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.171 0 C-N-CA 126.986 2.114 . . . . 0.0 110.169 -177.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.448 0 O-C-N 120.906 -1.121 . . . . 0.0 109.852 -178.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.565 0 N-CA-C 105.911 -1.885 . . . . 0.0 105.911 -177.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 127.135 2.772 . . . . 0.0 107.852 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.572 1.793 0 CA-C-O 115.397 -2.239 . . . . 0.0 106.438 177.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.562 1 O-C-N 130.719 5.012 . . . . 0.0 106.275 177.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.114 0 CA-C-O 113.765 -3.016 . . . . 0.0 105.862 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-N 121.076 1.762 . . . . 0.0 110.034 -177.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.794 0 O-C-N 125.879 1.987 . . . . 0.0 105.789 -176.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.345 0 O-C-N 127.508 3.005 . . . . 0.0 112.771 -176.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.968 0 O-C-N 127.219 2.824 . . . . 0.0 112.258 177.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 122.135 2.243 . . . . 0.0 111.917 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--O 1.225 -0.2 0 O-C-N 126.664 2.478 . . . . 0.0 109.723 -174.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.736 0 C-N-CA 124.669 3.579 . . . . 0.0 111.965 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.477 0.881 0 CA-C-N 111.673 -2.512 . . . . 0.0 106.726 179.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.254 0 O-C-N 127.539 3.389 . . . . 0.0 107.9 178.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.329 -0.491 0 CA-C-O 116.144 -1.69 . . . . 0.0 108.37 178.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.6 0 O-C-N 127.063 2.727 . . . . 0.0 112.176 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.291 -1.939 0 C-N-CA 126.773 2.029 . . . . 0.0 114.885 -174.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.703 0 N-CA-C 107.71 -1.218 . . . . 0.0 107.71 175.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.304 0 O-C-N 124.9 1.375 . . . . 0.0 113.667 -175.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.257 1.448 0 CA-C-O 117.388 -1.292 . . . . 0.0 112.771 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.299 0 CA-C-N 121.779 2.082 . . . . 0.0 114.947 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.311 -1.443 0 C-N-CA 122.149 1.899 . . . . 0.0 113.333 178.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.901 0 C-N-CA 129.767 3.227 . . . . 0.0 112.327 178.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.064 0 O-C-N 119.436 -2.04 . . . . 0.0 109.548 177.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.33 0 CA-C-O 115.576 -2.155 . . . . 0.0 109.269 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 127.41 2.944 . . . . 0.0 109.353 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.234 0 O-C-N 120.324 -1.485 . . . . 0.0 112.888 177.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-O 122.04 0.924 . . . . 0.0 113.321 179.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.247 0 C-N-CA 126.454 1.902 . . . . 0.0 109.258 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 125.127 1.517 . . . . 0.0 110.216 175.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.159 0 C-N-CA 127.128 2.171 . . . . 0.0 114.566 178.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 1.977 0 CA-C-O 117.103 -1.943 . . . . 0.0 112.349 178.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 118.175 0.988 . . . . 0.0 108.481 179.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 176.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.925 0 C-N-CA 123.962 0.905 . . . . 0.0 112.836 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.467 0 N-CA-C 115.03 1.492 . . . . 0.0 115.03 -175.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.095 0 C-N-CA 125.035 1.334 . . . . 0.0 108.121 175.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 177.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.948 0 CA-C-N 114.291 -1.322 . . . . 0.0 110.113 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 116.008 -1.949 . . . . 0.0 112.302 178.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.557 0 N-CA-C 116.628 2.085 . . . . 0.0 116.628 -174.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.583 0 CA-C-O 122.733 1.254 . . . . 0.0 112.272 -178.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 122.405 2.07 . . . . 0.0 115.148 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 177.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.433 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 178.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.497 -1.085 0 O-C-N 118.342 -2.724 . . . . 0.0 114.616 -179.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.324 0 N-CA-C 115.986 1.847 . . . . 0.0 115.986 179.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.034 0 CA-C-N 120.272 1.133 . . . . 0.0 114.882 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.246 1.018 . . . . 0.0 112.073 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 O-C-N 125.029 1.456 . . . . 0.0 111.497 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.255 1.343 0 N-CA-C 116.909 2.188 . . . . 0.0 116.909 179.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 127.639 2.375 . . . . 0.0 115.542 -178.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.246 0.881 0 N-CA-C 117.135 2.272 . . . . 0.0 117.135 -178.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.034 0 CA-C-O 115.729 -2.706 . . . . 0.0 118.887 177.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.927 0 CA-C-N 124.141 3.971 . . . . 0.0 111.376 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-O 115.62 -2.133 . . . . 0.0 106.264 177.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.302 -1.489 0 O-C-N 125.528 1.767 . . . . 0.0 107.627 -178.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.493 0 O-C-N 125.839 1.962 . . . . 0.0 111.489 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-O 122.069 0.937 . . . . 0.0 110.709 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.033 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.266 1.963 0 O-C-N 126.099 2.124 . . . . 0.0 116.186 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.787 0 CA-C-O 117.926 -1.035 . . . . 0.0 112.57 -178.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 1.995 0 N-CA-C 107.798 -2.121 . . . . 0.0 107.798 -178.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 125.362 2.505 . . . . 0.0 112.664 -177.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.846 0 CA-C-N 110.871 -2.877 . . . . 0.0 110.395 179.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -0.989 0 O-C-N 126.397 2.31 . . . . 0.0 105.429 176.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.384 0 N-CA-C 117.743 2.497 . . . . 0.0 117.743 -176.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 178.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 103.823 -2.658 . . . . 0.0 103.823 177.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 CA-C-N 111.99 -2.368 . . . . 0.0 108.038 -179.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.314 0 N-CA-C 118.548 2.179 . . . . 0.0 118.548 -178.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.677 0 O-C-N 121.443 -1.033 . . . . 0.0 112.246 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.651 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -177.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.828 0 CA-C-O 124.265 1.983 . . . . 0.0 110.036 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.245 0.855 0 CA-C-N 113.404 -1.726 . . . . 0.0 108.375 -178.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 C--N 1.318 -0.463 0 CA-C-N 114.033 -1.44 . . . . 0.0 110.168 179.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 124.775 0.926 . . . . 0.0 110.019 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 1.024 0 CA-C-N 114.403 -1.271 . . . . 0.0 109.375 179.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.484 1.274 0 O-C-N 124.519 1.137 . . . . 0.0 110.156 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 CA--C 1.501 -0.841 0 N-CA-C 119.047 2.379 . . . . 0.0 119.047 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.853 0 O-C-N 120.826 -1.397 . . . . 0.0 109.07 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 178.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.266 1.937 0 O-C-N 125.696 1.873 . . . . 0.0 110.21 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.282 0.563 . . . . 0.0 111.87 -179.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 115.73 -2.081 . . . . 0.0 108.807 -177.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.293 -1.891 0 O-C-N 127.218 2.824 . . . . 0.0 110.332 178.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 117.668 -1.158 . . . . 0.0 109.582 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 O-C-N 128.117 3.385 . . . . 0.0 112.807 -177.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.281 0 O-C-N 125.108 1.505 . . . . 0.0 111.741 -178.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 123.889 0.875 . . . . 0.0 110.189 178.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.949 0 N-CA-C 118.052 2.612 . . . . 0.0 118.052 175.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.311 -1.07 0 C-N-CA 124.088 0.955 . . . . 0.0 109.051 177.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 127.409 2.943 . . . . 0.0 111.338 -177.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.388 0 C-N-CA 129.94 3.296 . . . . 0.0 108.987 178.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.923 0 O-C-N 126.762 2.539 . . . . 0.0 113.795 -178.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -178.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 124.743 1.277 . . . . 0.0 109.965 178.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.303 -1.433 0 C-N-CA 124.051 0.941 . . . . 0.0 109.17 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.858 0 C-N-CA 123.462 0.705 . . . . 0.0 112.69 -178.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-O 117.036 -1.459 . . . . 0.0 111.049 -177.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 CA-C-O 116.735 -1.603 . . . . 0.0 110.688 -176.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.163 0 CA-C-N 119.527 1.058 . . . . 0.0 112.884 -178.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 124.934 1.294 . . . . 0.0 111.71 -178.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 125.031 1.457 . . . . 0.0 108.34 -179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 126.553 2.408 . . . . 0.0 111.639 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.016 0 C-N-CA 120.162 -0.615 . . . . 0.0 110.478 177.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 -177.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 125.662 1.585 . . . . 0.0 111.236 177.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.466 0.663 0 O-C-N 121.344 -0.848 . . . . 0.0 114.215 -179.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 179.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 119.834 -1.791 . . . . 0.0 109.604 -179.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 116.365 1.987 . . . . 0.0 116.365 -176.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 125.215 1.572 . . . . 0.0 110.299 -176.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 112.519 -2.128 . . . . 0.0 108.284 175.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 N-CA-C 104.464 -2.421 . . . . 0.0 104.464 178.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 125.415 1.697 . . . . 0.0 108.27 -177.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.293 0 O-C-N 125.902 2.001 . . . . 0.0 110.987 -175.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.474 -2.522 0 O-C-N 126.265 2.718 . . . . 0.0 115.07 -176.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.259 1.562 0 O-C-N 120.351 -1.468 . . . . 0.0 113.805 177.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.384 0 N-CA-C 115.602 1.705 . . . . 0.0 115.602 -176.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--N 1.294 -1.811 0 CA-C-O 115.116 -2.373 . . . . 0.0 112.787 -178.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.633 0 CA-C-N 120.899 1.682 . . . . 0.0 114.862 -178.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.311 -1.085 0 C-N-CA 127.071 2.149 . . . . 0.0 111.233 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 O-C-N 126.183 2.177 . . . . 0.0 110.476 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 125.342 1.457 . . . . 0.0 107.11 177.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.722 0 C-N-CA 126.554 1.942 . . . . 0.0 112.632 178.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.252 1.196 0 CA-C-N 113.225 -1.807 . . . . 0.0 111.409 -177.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.143 0 C-N-CA 123.858 0.863 . . . . 0.0 113.134 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 104.182 -2.525 . . . . 0.0 104.182 177.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 104.82 -2.289 . . . . 0.0 104.82 178.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 128.46 3.6 . . . . 0.0 116.929 -175.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.584 4.375 0 N-CA-C 105.305 -3.118 . . . . 0.0 105.305 177.088 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.347 0 O-C-N 128.557 3.151 . . . . 0.0 106.515 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.244 0.783 0 C-N-CA 118.945 -1.102 . . . . 0.0 112.666 -177.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.726 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 177.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.84 0 CA-C-O 122.425 1.107 . . . . 0.0 108.095 176.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.288 0 C-N-CA 121.501 1.467 . . . . 0.0 111.853 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 176.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 105.379 -2.082 . . . . 0.0 105.379 177.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 122.77 1.271 . . . . 0.0 110.094 -176.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.184 0 CA-C-N 112.729 -2.032 . . . . 0.0 112.797 -179.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.203 0 CA-C-N 118.177 0.988 . . . . 0.0 110.724 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.923 0 O-C-N 123.476 1.251 . . . . 0.0 111.645 177.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 103.176 -2.898 . . . . 0.0 103.176 178.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.34 0 O-C-N 126.871 2.607 . . . . 0.0 112.233 -178.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.694 0 N-CA-C 107.58 -1.739 . . . . 0.0 107.58 179.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.29 -1.98 0 O-C-N 128.11 3.381 . . . . 0.0 102.987 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.266 1.966 0 CA-C-O 115.985 -1.96 . . . . 0.0 108.796 -178.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.544 1.854 0 N-CA-C 104.088 -3.605 . . . . 0.0 104.088 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.515 0 CA-C-O 115.694 -2.098 . . . . 0.0 109.509 -179.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.724 0 N-CA-C 103.683 -2.71 . . . . 0.0 103.683 -178.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.063 0 O-C-N 127.701 3.126 . . . . 0.0 113.525 -176.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 106.327 -1.731 . . . . 0.0 106.327 -178.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.95 0 O-C-N 126.304 2.252 . . . . 0.0 107.603 -178.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 120.117 -1.813 . . . . 0.0 110.271 -177.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.335 0 N-CA-C 100.617 -3.846 . . . . 0.0 100.617 -177.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.292 0 CA-C-O 115.233 -2.07 . . . . 0.0 112.125 178.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.815 0 CA-C-N 120.68 1.582 . . . . 0.0 109.565 177.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.442 0 CA-C-N 112.843 -1.981 . . . . 0.0 110.587 178.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.304 0 O-C-N 120.925 -1.11 . . . . 0.0 110.399 178.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.141 0 O-C-N 125.766 1.916 . . . . 0.0 110.262 -178.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.087 0 O-C-N 127.034 2.709 . . . . 0.0 107.046 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.611 0 CA-C-O 122.234 1.016 . . . . 0.0 112.91 177.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.916 0 O-C-N 117.41 -3.306 . . . . 0.0 114.552 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.813 0 O-C-N 125.612 1.82 . . . . 0.0 108.105 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.299 -1.607 1 O-C-N 129.231 4.082 . . . . 0.0 109.767 179.202 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 120.011 -1.68 . . . . 0.0 111.887 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.528 0 C-N-CA 125.097 1.359 . . . . 0.0 112.778 178.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.29 -1.989 0 C-N-CA 127.976 2.703 . . . . 0.0 114.303 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.281 0 C-N-CA 128.284 2.634 . . . . 0.0 111.496 -178.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 C-N-CA 117.6 -1.64 . . . . 0.0 107.404 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.088 0 CA-C-O 117.251 -1.357 . . . . 0.0 109.05 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.296 0 C-N-CA 122.845 2.363 . . . . 0.0 111.767 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.01 0 O-C-N 118.632 -2.543 . . . . 0.0 115.721 -178.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.313 -1.014 0 C-N-CA 126.631 1.972 . . . . 0.0 110.918 -179.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.506 -0.907 0 C-N-CA 123.42 2.747 . . . . 0.0 115.433 176.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 121.32 1.873 . . . . 0.0 113.452 178.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 124.933 1.293 . . . . 0.0 107.995 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.246 0.883 0 C-N-CA 119.043 -1.063 . . . . 0.0 109.734 179.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.549 -0.719 . . . . 0.0 109.33 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 C--O 1.243 0.726 0 CA-C-N 114.268 -1.333 . . . . 0.0 109.733 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-N 119.581 1.082 . . . . 0.0 111.937 -177.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-O 117.088 -1.434 . . . . 0.0 111.859 -178.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 115.048 1.499 . . . . 0.0 115.048 -178.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.47 0 CA-C-N 114.588 -1.187 . . . . 0.0 109.159 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-O 124.895 2.283 . . . . 0.0 109.441 178.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.038 0 CA-C-N 112.719 -2.037 . . . . 0.0 111.267 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-N 121.121 1.782 . . . . 0.0 112.773 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.309 0 CA-C-O 118.434 -0.793 . . . . 0.0 112.214 -176.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 O-C-N 124.079 0.862 . . . . 0.0 109.149 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-O 115.219 -2.324 . . . . 0.0 110.892 -178.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.232 0 O-C-N 127.563 3.039 . . . . 0.0 111.024 179.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.79 0 C-N-CA 127.412 2.285 . . . . 0.0 113.753 -177.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 125.967 2.042 . . . . 0.0 112.227 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.384 0 CA-C-N 121.282 1.856 . . . . 0.0 114.823 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.557 0 C-N-CA 124.809 1.244 . . . . 0.0 111.452 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 178.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 O-C-N 124.832 1.332 . . . . 0.0 110.031 -178.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-N 113.677 -1.601 . . . . 0.0 111.056 178.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.302 -1.494 0 C-N-CA 127.125 2.17 . . . . 0.0 112.538 -178.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 113.683 -1.598 . . . . 0.0 111.995 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-O 116.71 -1.614 . . . . 0.0 111.657 -178.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 126.533 2.395 . . . . 0.0 107.556 178.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.059 0 C-N-CA 126.434 1.894 . . . . 0.0 113.123 179.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.678 -179.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.182 0 O-C-N 124.43 1.081 . . . . 0.0 108.181 178.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-O 116.543 -1.694 . . . . 0.0 112.124 179.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.257 1.494 0 N-CA-C 115.959 1.837 . . . . 0.0 115.959 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 O-C-N 124.458 1.099 . . . . 0.0 111.115 -177.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.118 0 O-C-N 125.477 1.736 . . . . 0.0 111.401 -178.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.084 0 C-N-CA 127.298 2.239 . . . . 0.0 107.448 179.129 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 500' ' ' MXT . . . . . 1.267 H122 ' CA ' ' A' ' 41' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 600' ' ' MXT . . . . . 0.683 ' O12' H231 ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.467 ' HB2' H121 ' A' ' 500' ' ' MXT . 6.5 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.296 0 O-C-N 125.664 1.852 . . . . 0.0 106.875 169.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.715 1 O-C-N 129.168 4.246 . . . . 0.0 107.974 -175.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.293 -1.891 0 CA-C-N 120.991 1.723 . . . . 0.0 112.626 -178.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.176 0 CA-C-N 114.243 -1.344 . . . . 0.0 110.942 -177.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.16 0 C-N-CA 126.939 2.096 . . . . 0.0 110.232 -177.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.455 0 O-C-N 120.908 -1.12 . . . . 0.0 109.866 178.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.595 0 N-CA-C 105.948 -1.871 . . . . 0.0 105.948 -177.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 127.103 2.752 . . . . 0.0 107.817 179.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.788 0 CA-C-O 115.426 -2.226 . . . . 0.0 106.415 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.561 1 O-C-N 130.684 4.99 . . . . 0.0 106.284 176.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.129 0 CA-C-O 113.696 -3.05 . . . . 0.0 105.89 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-N 121.16 1.8 . . . . 0.0 110.026 -177.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.785 0 O-C-N 125.922 2.014 . . . . 0.0 105.798 -176.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.254 1.323 0 O-C-N 127.538 3.024 . . . . 0.0 112.795 -176.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.958 0 O-C-N 127.245 2.841 . . . . 0.0 112.246 177.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 122.171 2.26 . . . . 0.0 111.938 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--O 1.225 -0.196 0 O-C-N 126.642 2.464 . . . . 0.0 109.709 -174.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.735 0 C-N-CA 124.663 3.575 . . . . 0.0 111.916 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.475 0.813 0 CA-C-N 111.772 -2.467 . . . . 0.0 106.761 179.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.279 0 O-C-N 127.537 3.388 . . . . 0.0 107.916 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.327 -0.557 0 O-C-N 124.327 1.699 . . . . 0.0 108.309 178.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.62 0 O-C-N 127.026 2.704 . . . . 0.0 112.151 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.991 0 C-N-CA 126.792 2.037 . . . . 0.0 114.926 -174.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.687 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 174.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.287 0 O-C-N 124.871 1.357 . . . . 0.0 113.592 -175.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.257 1.453 0 CA-C-O 117.407 -1.282 . . . . 0.0 112.791 -179.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.253 1.258 0 CA-C-N 121.759 2.072 . . . . 0.0 114.96 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.479 0 C-N-CA 122.119 1.879 . . . . 0.0 113.292 178.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.264 1.86 0 C-N-CA 129.78 3.232 . . . . 0.0 112.249 178.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.056 0 O-C-N 119.443 -2.036 . . . . 0.0 109.536 177.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.559 1.31 0 CA-C-O 115.606 -2.14 . . . . 0.0 109.218 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 127.334 2.897 . . . . 0.0 109.419 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.253 1.277 0 O-C-N 120.299 -1.5 . . . . 0.0 112.87 177.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-O 122.046 0.926 . . . . 0.0 113.308 179.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.251 0 C-N-CA 126.492 1.917 . . . . 0.0 109.23 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 125.099 1.499 . . . . 0.0 110.238 175.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.183 0 C-N-CA 127.043 2.137 . . . . 0.0 114.536 178.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.029 0 CA-C-O 117.057 -1.968 . . . . 0.0 112.322 178.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-N 118.132 0.966 . . . . 0.0 108.53 179.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 176.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.953 0 C-N-CA 123.953 0.901 . . . . 0.0 112.838 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.474 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 -175.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.31 -1.112 0 C-N-CA 125.033 1.333 . . . . 0.0 108.093 175.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 177.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.923 0 CA-C-N 114.3 -1.318 . . . . 0.0 110.086 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-O 115.986 -1.959 . . . . 0.0 112.283 178.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.574 0 N-CA-C 116.569 2.063 . . . . 0.0 116.569 -174.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.589 0 CA-C-O 122.734 1.254 . . . . 0.0 112.284 -178.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 122.364 2.043 . . . . 0.0 115.085 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 177.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.412 0 N-CA-C 115.167 1.543 . . . . 0.0 115.167 178.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.1 0 O-C-N 118.314 -2.741 . . . . 0.0 114.607 -179.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.332 0 N-CA-C 115.965 1.839 . . . . 0.0 115.965 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.06 0 CA-C-N 120.289 1.139 . . . . 0.0 114.853 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.279 1.031 . . . . 0.0 112.045 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 O-C-N 125.062 1.476 . . . . 0.0 111.473 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.32 0 N-CA-C 116.947 2.203 . . . . 0.0 116.947 179.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 127.638 2.375 . . . . 0.0 115.58 -178.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.246 0.871 0 N-CA-C 117.097 2.258 . . . . 0.0 117.097 -178.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.055 0 CA-C-O 115.714 -2.714 . . . . 0.0 118.897 177.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.967 0 CA-C-N 124.154 3.977 . . . . 0.0 111.377 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-O 115.667 -2.111 . . . . 0.0 106.273 177.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.51 0 O-C-N 125.442 1.714 . . . . 0.0 107.639 -178.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.5 0 O-C-N 125.805 1.94 . . . . 0.0 111.492 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-O 122.138 0.971 . . . . 0.0 110.688 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.248 1.009 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.266 1.97 0 O-C-N 126.028 2.08 . . . . 0.0 116.191 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.81 0 CA-C-O 117.93 -1.034 . . . . 0.0 112.579 -178.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.485 1.914 0 N-CA-C 107.782 -2.127 . . . . 0.0 107.782 -178.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 125.363 2.506 . . . . 0.0 112.65 -177.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.846 0 CA-C-N 110.874 -2.875 . . . . 0.0 110.413 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.314 -0.965 0 O-C-N 126.385 2.303 . . . . 0.0 105.444 176.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.41 0 N-CA-C 117.727 2.491 . . . . 0.0 117.727 -176.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 178.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 103.8 -2.667 . . . . 0.0 103.8 177.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 CA-C-N 112.046 -2.343 . . . . 0.0 108.063 -179.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.252 1.281 0 N-CA-C 118.549 2.18 . . . . 0.0 118.549 -178.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.243 0.721 0 O-C-N 121.488 -1.007 . . . . 0.0 112.27 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.622 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -177.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.497 1.885 0 CA-C-O 124.266 1.984 . . . . 0.0 110.04 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.891 0 CA-C-N 113.415 -1.72 . . . . 0.0 108.353 -178.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 C--N 1.318 -0.465 0 CA-C-N 114.056 -1.429 . . . . 0.0 110.166 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 124.843 0.966 . . . . 0.0 110.02 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 1.015 0 CA-C-N 114.379 -1.282 . . . . 0.0 109.361 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.484 1.245 0 O-C-N 124.592 1.182 . . . . 0.0 110.213 178.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 CA--C 1.501 -0.808 0 N-CA-C 119.071 2.388 . . . . 0.0 119.071 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.827 0 O-C-N 120.872 -1.369 . . . . 0.0 109.084 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 178.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.264 1.867 0 O-C-N 125.744 1.902 . . . . 0.0 110.285 179.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.333 0.587 . . . . 0.0 111.917 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 115.712 -2.089 . . . . 0.0 108.8 -177.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.903 0 O-C-N 127.273 2.858 . . . . 0.0 110.367 178.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-O 117.656 -1.164 . . . . 0.0 109.556 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 O-C-N 128.147 3.404 . . . . 0.0 112.792 -177.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.262 0 O-C-N 125.123 1.514 . . . . 0.0 111.756 -178.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 123.862 0.865 . . . . 0.0 110.202 178.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.292 -1.901 0 N-CA-C 118.064 2.616 . . . . 0.0 118.064 175.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.313 -1.017 0 C-N-CA 124.058 0.943 . . . . 0.0 109.115 177.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 127.454 2.971 . . . . 0.0 111.348 -177.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.388 0 C-N-CA 129.991 3.316 . . . . 0.0 109.0 178.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.928 0 O-C-N 126.785 2.553 . . . . 0.0 113.785 -178.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 115.287 1.588 . . . . 0.0 115.287 -178.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 124.729 1.268 . . . . 0.0 109.913 178.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 124.001 0.921 . . . . 0.0 109.199 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.89 0 C-N-CA 123.482 0.713 . . . . 0.0 112.73 -178.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-O 117.038 -1.458 . . . . 0.0 111.017 -177.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 CA-C-O 116.76 -1.59 . . . . 0.0 110.71 -176.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.159 0 CA-C-N 119.563 1.074 . . . . 0.0 112.796 -178.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.431 -1.394 0 C-N-CA 124.921 1.288 . . . . 0.0 111.661 -178.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 125.007 1.442 . . . . 0.0 108.32 -179.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.727 0 O-C-N 126.562 2.414 . . . . 0.0 111.617 -178.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.019 0 C-N-CA 120.197 -0.601 . . . . 0.0 110.538 177.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.735 0 N-CA-C 114.263 1.208 . . . . 0.0 114.263 -177.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 125.627 1.571 . . . . 0.0 111.226 177.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 CA--C 1.503 -0.66 0 O-C-N 121.27 -0.894 . . . . 0.0 114.255 -179.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.51 -0.588 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 119.83 -1.794 . . . . 0.0 109.655 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 116.41 2.004 . . . . 0.0 116.41 -177.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 125.3 1.625 . . . . 0.0 110.297 -176.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 112.497 -2.138 . . . . 0.0 108.31 176.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 N-CA-C 104.496 -2.409 . . . . 0.0 104.496 178.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 125.405 1.691 . . . . 0.0 108.288 -177.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.302 -1.321 0 O-C-N 125.886 1.991 . . . . 0.0 110.992 -175.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.433 0 O-C-N 126.311 2.743 . . . . 0.0 115.043 -176.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.512 0 O-C-N 120.417 -1.427 . . . . 0.0 113.822 177.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.382 0 N-CA-C 115.618 1.71 . . . . 0.0 115.618 -177.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.264 1.845 0 CA-C-O 115.089 -2.386 . . . . 0.0 112.775 -178.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.261 1.659 0 CA-C-N 120.934 1.697 . . . . 0.0 114.863 -178.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.049 0 C-N-CA 127.03 2.132 . . . . 0.0 111.188 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 O-C-N 126.246 2.217 . . . . 0.0 110.443 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 125.416 1.487 . . . . 0.0 107.062 177.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.753 0 C-N-CA 126.57 1.948 . . . . 0.0 112.578 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-N 113.259 -1.791 . . . . 0.0 111.458 -177.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.138 0 C-N-CA 123.845 0.858 . . . . 0.0 113.203 -179.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 N-CA-C 104.188 -2.523 . . . . 0.0 104.188 177.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 104.825 -2.287 . . . . 0.0 104.825 178.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 128.533 3.645 . . . . 0.0 116.975 -175.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.338 0 N-CA-C 105.271 -3.132 . . . . 0.0 105.271 177.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.342 0 O-C-N 128.512 3.125 . . . . 0.0 106.513 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.838 0 C-N-CA 118.883 -1.127 . . . . 0.0 112.669 -177.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.741 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 177.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.818 0 CA-C-O 122.42 1.105 . . . . 0.0 108.079 176.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.267 0 C-N-CA 121.497 1.464 . . . . 0.0 111.883 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 177.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 105.374 -2.084 . . . . 0.0 105.374 177.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 122.803 1.287 . . . . 0.0 110.109 -176.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.159 0 CA-C-N 112.682 -2.053 . . . . 0.0 112.787 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.222 0 CA-C-N 118.135 0.968 . . . . 0.0 110.701 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.96 0 O-C-N 123.488 1.257 . . . . 0.0 111.618 176.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 103.186 -2.894 . . . . 0.0 103.186 178.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.306 -1.323 0 O-C-N 126.913 2.633 . . . . 0.0 112.201 -178.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.686 0 N-CA-C 107.542 -1.753 . . . . 0.0 107.542 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.973 0 O-C-N 128.182 3.426 . . . . 0.0 103.002 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.266 1.969 0 CA-C-O 115.952 -1.975 . . . . 0.0 108.836 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 C--N 1.293 -1.808 0 N-CA-C 104.112 -3.595 . . . . 0.0 104.112 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.527 0 CA-C-O 115.675 -2.107 . . . . 0.0 109.499 -177.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.569 1.695 0 N-CA-C 103.709 -2.7 . . . . 0.0 103.709 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.498 -1.057 0 O-C-N 127.687 3.117 . . . . 0.0 113.549 -178.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 106.328 -1.73 . . . . 0.0 106.328 -178.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.94 0 O-C-N 126.226 2.204 . . . . 0.0 107.627 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.603 -2.116 . . . . 0.0 110.271 -176.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.334 0 N-CA-C 100.615 -3.846 . . . . 0.0 100.615 -173.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.445 -1.329 0 CA-C-O 115.185 -2.09 . . . . 0.0 112.081 178.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.805 0 CA-C-N 120.704 1.593 . . . . 0.0 109.58 177.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.428 0 CA-C-N 112.83 -1.987 . . . . 0.0 110.632 178.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.312 0 O-C-N 120.889 -1.132 . . . . 0.0 110.434 178.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.164 0 O-C-N 125.817 1.948 . . . . 0.0 110.28 -178.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.289 -2.064 0 O-C-N 127.049 2.718 . . . . 0.0 107.042 178.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.625 0 CA-C-O 122.216 1.007 . . . . 0.0 112.907 177.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.92 0 O-C-N 117.463 -3.273 . . . . 0.0 114.61 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.571 1.769 0 O-C-N 125.621 1.826 . . . . 0.0 108.172 179.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.579 1 O-C-N 129.18 4.05 . . . . 0.0 109.724 179.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 120.028 -1.67 . . . . 0.0 111.841 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.302 -1.488 0 C-N-CA 125.091 1.356 . . . . 0.0 112.79 178.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.047 0 C-N-CA 127.976 2.703 . . . . 0.0 114.328 -178.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.273 2.3 0 C-N-CA 128.289 2.636 . . . . 0.0 111.501 -178.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 C-N-CA 117.598 -1.641 . . . . 0.0 107.348 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.068 0 CA-C-O 117.246 -1.359 . . . . 0.0 109.06 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.326 0 C-N-CA 122.833 2.355 . . . . 0.0 111.765 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.024 0 O-C-N 118.68 -2.513 . . . . 0.0 115.727 -177.338 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.045 0 C-N-CA 126.618 1.967 . . . . 0.0 110.975 -178.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.506 -0.912 0 C-N-CA 123.382 2.721 . . . . 0.0 115.518 177.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-N 121.288 1.858 . . . . 0.0 113.442 178.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 124.947 1.299 . . . . 0.0 108.018 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.244 0.809 0 C-N-CA 119.03 -1.068 . . . . 0.0 109.766 179.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.599 -0.688 . . . . 0.0 109.303 179.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 C--O 1.244 0.769 0 CA-C-N 114.227 -1.351 . . . . 0.0 109.731 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-N 119.599 1.091 . . . . 0.0 111.974 -177.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-O 117.024 -1.465 . . . . 0.0 111.85 -178.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 -178.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.458 0 CA-C-N 114.536 -1.211 . . . . 0.0 109.203 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-O 124.852 2.263 . . . . 0.0 109.413 178.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.499 -0.998 0 CA-C-N 112.793 -2.003 . . . . 0.0 111.311 178.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-N 121.119 1.781 . . . . 0.0 112.743 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.29 0 CA-C-O 118.417 -0.801 . . . . 0.0 112.284 -176.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 O-C-N 124.097 0.873 . . . . 0.0 109.117 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-O 115.213 -2.327 . . . . 0.0 110.948 -178.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.22 0 O-C-N 127.58 3.05 . . . . 0.0 110.99 178.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.796 0 C-N-CA 127.399 2.28 . . . . 0.0 113.784 -177.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 126.004 2.065 . . . . 0.0 112.137 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.363 0 CA-C-N 121.357 1.889 . . . . 0.0 114.835 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.603 0 C-N-CA 124.777 1.231 . . . . 0.0 111.437 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 178.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 178.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 O-C-N 124.845 1.341 . . . . 0.0 110.014 -178.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.352 0 CA-C-N 113.63 -1.623 . . . . 0.0 111.038 178.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 127.123 2.169 . . . . 0.0 112.519 -178.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 113.694 -1.594 . . . . 0.0 111.975 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.674 0 CA-C-O 116.782 -1.58 . . . . 0.0 111.706 -178.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 126.524 2.39 . . . . 0.0 107.504 178.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 C--N 1.312 -1.027 0 C-N-CA 126.394 1.878 . . . . 0.0 113.103 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.617 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.308 -1.197 0 O-C-N 124.448 1.092 . . . . 0.0 108.236 178.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 116.551 -1.69 . . . . 0.0 112.074 179.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.52 0 N-CA-C 115.896 1.813 . . . . 0.0 115.896 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 O-C-N 124.47 1.106 . . . . 0.0 111.105 -177.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.119 0 O-C-N 125.412 1.695 . . . . 0.0 111.334 -178.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.077 0 C-N-CA 127.237 2.215 . . . . 0.0 107.418 179.14 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 500' ' ' MXT . . . . . 0.828 ' O11' H231 ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 600' ' ' MXT . . . . . 0.769 ' O12' H231 ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.435 ' HB3' H122 ' A' ' 500' ' ' MXT . 16.2 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.294 0 O-C-N 125.664 1.852 . . . . 0.0 106.874 169.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.765 1 O-C-N 129.208 4.267 . . . . 0.0 107.94 -172.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.918 0 CA-C-N 121.041 1.746 . . . . 0.0 112.646 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.18 0 CA-C-N 114.255 -1.338 . . . . 0.0 110.958 178.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.194 0 C-N-CA 127.018 2.127 . . . . 0.0 110.218 -176.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.45 0 O-C-N 120.892 -1.13 . . . . 0.0 109.823 -176.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.26 1.638 0 N-CA-C 105.94 -1.874 . . . . 0.0 105.94 -178.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 127.14 2.775 . . . . 0.0 107.809 -178.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.758 0 CA-C-O 115.436 -2.221 . . . . 0.0 106.45 178.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.549 1 O-C-N 130.697 4.998 . . . . 0.0 106.318 178.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.135 0 CA-C-O 113.724 -3.036 . . . . 0.0 105.888 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-N 121.112 1.778 . . . . 0.0 110.055 -177.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.294 -1.827 0 O-C-N 125.916 2.01 . . . . 0.0 105.807 -176.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.367 0 O-C-N 127.498 2.999 . . . . 0.0 112.819 -176.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.949 0 O-C-N 127.216 2.822 . . . . 0.0 112.284 177.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.314 -0.943 0 O-C-N 119.085 -2.259 . . . . 0.0 111.925 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--O 1.226 -0.181 0 O-C-N 126.626 2.454 . . . . 0.0 109.676 -174.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.72 0 C-N-CA 124.657 3.571 . . . . 0.0 111.956 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.475 0.82 0 CA-C-N 111.746 -2.479 . . . . 0.0 106.737 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.255 0 O-C-N 127.448 3.341 . . . . 0.0 107.896 179.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.534 0 C-N-CA 121.837 1.692 . . . . 0.0 108.308 178.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.589 0 O-C-N 127.075 2.734 . . . . 0.0 112.175 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.992 0 C-N-CA 126.753 2.021 . . . . 0.0 114.903 -174.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.682 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 175.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 124.87 1.356 . . . . 0.0 113.695 -175.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.412 0 CA-C-O 117.435 -1.269 . . . . 0.0 112.782 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.314 0 CA-C-N 121.72 2.055 . . . . 0.0 114.928 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.309 -1.506 0 C-N-CA 122.177 1.918 . . . . 0.0 113.306 178.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.293 -1.877 0 C-N-CA 129.778 3.231 . . . . 0.0 112.269 178.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.313 -1.017 0 O-C-N 119.411 -2.056 . . . . 0.0 109.5 178.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.346 0 CA-C-O 115.577 -2.154 . . . . 0.0 109.219 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 127.392 2.932 . . . . 0.0 109.362 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.253 1.245 0 O-C-N 120.325 -1.485 . . . . 0.0 112.921 177.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-O 122.011 0.91 . . . . 0.0 113.344 179.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.274 0 C-N-CA 126.468 1.907 . . . . 0.0 109.232 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.802 0 O-C-N 125.107 1.504 . . . . 0.0 110.26 175.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.152 0 C-N-CA 127.03 2.132 . . . . 0.0 114.566 178.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.016 0 CA-C-O 117.095 -1.947 . . . . 0.0 112.345 178.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 118.11 0.955 . . . . 0.0 108.527 179.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 176.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.95 0 C-N-CA 123.91 0.884 . . . . 0.0 112.893 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.459 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 -175.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.31 -1.124 0 C-N-CA 125.052 1.341 . . . . 0.0 108.105 175.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 177.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.933 0 CA-C-N 114.304 -1.317 . . . . 0.0 110.114 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-O 115.986 -1.959 . . . . 0.0 112.264 178.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.571 0 C-N-CA 126.913 2.085 . . . . 0.0 116.601 -174.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.59 0 CA-C-O 122.711 1.243 . . . . 0.0 112.313 -178.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 122.347 2.032 . . . . 0.0 115.1 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 177.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.437 0 N-CA-C 115.167 1.543 . . . . 0.0 115.167 178.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.112 0 O-C-N 118.343 -2.723 . . . . 0.0 114.658 -179.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.303 0 N-CA-C 115.926 1.824 . . . . 0.0 115.926 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.502 -1.076 0 CA-C-N 120.317 1.149 . . . . 0.0 114.91 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.323 1.049 . . . . 0.0 112.024 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 O-C-N 125.117 1.511 . . . . 0.0 111.465 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.337 0 N-CA-C 116.926 2.195 . . . . 0.0 116.926 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 127.602 2.361 . . . . 0.0 115.575 -178.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.856 0 N-CA-C 117.141 2.274 . . . . 0.0 117.141 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.063 0 CA-C-O 115.69 -2.728 . . . . 0.0 118.865 177.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.925 0 CA-C-N 124.184 3.992 . . . . 0.0 111.397 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.483 1.175 0 CA-C-O 115.615 -2.136 . . . . 0.0 106.256 177.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.504 0 O-C-N 125.506 1.754 . . . . 0.0 107.609 -178.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.472 0 O-C-N 125.766 1.916 . . . . 0.0 111.522 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-O 122.077 0.941 . . . . 0.0 110.698 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.074 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.266 1.965 0 O-C-N 126.021 2.076 . . . . 0.0 116.245 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.78 0 CA-C-O 117.931 -1.033 . . . . 0.0 112.618 -178.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.485 1.953 0 N-CA-C 107.849 -2.1 . . . . 0.0 107.849 -178.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 125.342 2.496 . . . . 0.0 112.636 -177.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.246 0.884 0 CA-C-N 110.874 -2.876 . . . . 0.0 110.42 179.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -1.003 0 O-C-N 126.376 2.298 . . . . 0.0 105.416 176.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.399 0 N-CA-C 117.799 2.518 . . . . 0.0 117.799 -176.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 103.842 -2.651 . . . . 0.0 103.842 177.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 CA-C-N 112.03 -2.35 . . . . 0.0 108.04 -179.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.254 1.346 0 N-CA-C 118.542 2.177 . . . . 0.0 118.542 -178.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.663 0 O-C-N 121.464 -1.021 . . . . 0.0 112.242 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.621 0 CA-C-O 118.862 -0.589 . . . . 0.0 112.588 -177.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.839 0 CA-C-O 124.189 1.947 . . . . 0.0 110.026 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.875 0 CA-C-N 113.449 -1.705 . . . . 0.0 108.365 -178.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.463 0.483 0 CA-C-N 114.056 -1.429 . . . . 0.0 110.156 179.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 124.846 0.968 . . . . 0.0 109.977 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.995 0 CA-C-N 114.378 -1.283 . . . . 0.0 109.343 179.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.484 1.253 0 O-C-N 124.521 1.138 . . . . 0.0 110.194 178.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.853 0 N-CA-C 119.074 2.39 . . . . 0.0 119.074 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.833 0 O-C-N 120.89 -1.359 . . . . 0.0 109.06 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 107.067 -1.457 . . . . 0.0 107.067 178.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.914 0 O-C-N 125.654 1.846 . . . . 0.0 110.246 179.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.348 0.594 . . . . 0.0 111.929 -179.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 115.74 -2.076 . . . . 0.0 108.818 -177.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.898 0 O-C-N 127.261 2.851 . . . . 0.0 110.343 178.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 117.688 -1.149 . . . . 0.0 109.596 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 O-C-N 128.103 3.377 . . . . 0.0 112.837 -177.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.255 0 O-C-N 125.13 1.519 . . . . 0.0 111.753 -178.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 123.912 0.885 . . . . 0.0 110.262 178.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.292 -1.929 0 N-CA-C 117.996 2.591 . . . . 0.0 117.996 175.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.042 0 C-N-CA 124.063 0.945 . . . . 0.0 109.103 177.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 127.416 2.948 . . . . 0.0 111.37 -177.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.305 -1.369 0 C-N-CA 129.99 3.316 . . . . 0.0 109.041 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.246 0.914 0 O-C-N 126.796 2.56 . . . . 0.0 113.811 -178.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 115.288 1.588 . . . . 0.0 115.288 -178.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 124.776 1.298 . . . . 0.0 109.926 178.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.303 -1.42 0 C-N-CA 124.002 0.921 . . . . 0.0 109.176 179.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 123.485 0.714 . . . . 0.0 112.692 -178.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-O 116.979 -1.486 . . . . 0.0 111.002 -177.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.667 0 CA-C-O 116.746 -1.597 . . . . 0.0 110.683 -176.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.141 0 CA-C-N 119.608 1.095 . . . . 0.0 112.846 -178.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 124.999 1.32 . . . . 0.0 111.689 -178.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 125.034 1.459 . . . . 0.0 108.286 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 126.569 2.418 . . . . 0.0 111.634 -179.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.001 0 C-N-CA 120.179 -0.608 . . . . 0.0 110.493 177.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.728 0 N-CA-C 114.314 1.227 . . . . 0.0 114.314 -177.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 125.643 1.577 . . . . 0.0 111.248 177.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.466 0.657 0 O-C-N 121.307 -0.87 . . . . 0.0 114.261 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.51 -0.59 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 119.866 -1.771 . . . . 0.0 109.687 -179.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.921 0 N-CA-C 116.363 1.986 . . . . 0.0 116.363 -176.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 125.287 1.617 . . . . 0.0 110.316 -176.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 112.541 -2.118 . . . . 0.0 108.286 176.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 N-CA-C 104.514 -2.402 . . . . 0.0 104.514 178.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 125.396 1.685 . . . . 0.0 108.302 -177.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.268 0 O-C-N 125.916 2.01 . . . . 0.0 110.994 -175.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.466 0 O-C-N 126.266 2.719 . . . . 0.0 115.064 -176.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.257 1.483 0 O-C-N 120.427 -1.42 . . . . 0.0 113.88 177.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.366 0 N-CA-C 115.646 1.721 . . . . 0.0 115.646 -177.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.263 1.802 0 CA-C-O 115.092 -2.385 . . . . 0.0 112.793 -178.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.642 0 CA-C-N 120.912 1.687 . . . . 0.0 114.792 -177.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.059 0 C-N-CA 127.023 2.129 . . . . 0.0 111.217 -179.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 126.211 2.194 . . . . 0.0 110.486 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 125.393 1.477 . . . . 0.0 107.082 177.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.725 0 C-N-CA 126.518 1.927 . . . . 0.0 112.636 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.252 1.186 0 CA-C-N 113.174 -1.83 . . . . 0.0 111.396 -177.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.309 -1.171 0 C-N-CA 123.854 0.862 . . . . 0.0 113.171 -179.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 104.127 -2.546 . . . . 0.0 104.127 177.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 104.837 -2.283 . . . . 0.0 104.837 178.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 128.523 3.64 . . . . 0.0 116.972 -175.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.282 0 N-CA-C 105.307 -3.117 . . . . 0.0 105.307 177.075 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.343 0 O-C-N 128.46 3.094 . . . . 0.0 106.515 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.244 0.809 0 C-N-CA 118.94 -1.104 . . . . 0.0 112.748 -177.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.763 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 177.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.821 0 CA-C-O 122.447 1.117 . . . . 0.0 108.097 176.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.287 0 C-N-CA 121.529 1.486 . . . . 0.0 111.884 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 176.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 105.321 -2.103 . . . . 0.0 105.321 177.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 122.803 1.287 . . . . 0.0 110.076 -176.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.172 0 CA-C-N 112.664 -2.062 . . . . 0.0 112.737 178.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.236 0 CA-C-N 118.183 0.991 . . . . 0.0 110.768 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.931 0 O-C-N 123.488 1.257 . . . . 0.0 111.659 177.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 103.184 -2.895 . . . . 0.0 103.184 178.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.306 -1.316 0 O-C-N 126.856 2.597 . . . . 0.0 112.24 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.44 -1.658 0 N-CA-C 107.583 -1.737 . . . . 0.0 107.583 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.951 0 O-C-N 128.095 3.372 . . . . 0.0 103.023 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.266 1.94 0 CA-C-O 116.001 -1.952 . . . . 0.0 108.838 178.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.804 0 N-CA-C 104.083 -3.607 . . . . 0.0 104.083 -178.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.257 1.483 0 CA-C-O 115.689 -2.101 . . . . 0.0 109.526 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.725 0 N-CA-C 103.676 -2.713 . . . . 0.0 103.676 -176.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.066 0 O-C-N 127.737 3.148 . . . . 0.0 113.526 -178.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 106.325 -1.732 . . . . 0.0 106.325 -177.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.501 2.973 0 O-C-N 126.292 2.245 . . . . 0.0 107.649 -178.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 120.743 -1.445 . . . . 0.0 110.271 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.305 0 N-CA-C 100.644 -3.836 . . . . 0.0 100.644 -175.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.305 0 CA-C-O 115.202 -2.083 . . . . 0.0 112.057 178.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.808 0 CA-C-N 120.771 1.623 . . . . 0.0 109.573 177.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.405 0 CA-C-N 112.797 -2.001 . . . . 0.0 110.641 178.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.309 0 O-C-N 120.868 -1.145 . . . . 0.0 110.4 178.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.168 0 O-C-N 125.785 1.928 . . . . 0.0 110.29 -178.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.066 0 O-C-N 127.083 2.739 . . . . 0.0 107.015 178.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.598 0 CA-C-O 122.192 0.996 . . . . 0.0 112.928 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.884 0 O-C-N 117.449 -3.282 . . . . 0.0 114.6 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.813 0 O-C-N 125.592 1.808 . . . . 0.0 108.136 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.581 1 O-C-N 129.245 4.09 . . . . 0.0 109.775 179.176 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 120.058 -1.651 . . . . 0.0 111.88 179.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 125.082 1.353 . . . . 0.0 112.802 178.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.042 0 C-N-CA 128.058 2.742 . . . . 0.0 114.309 -178.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.283 0 C-N-CA 128.322 2.649 . . . . 0.0 111.502 -178.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 C-N-CA 117.593 -1.643 . . . . 0.0 107.371 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.289 -2.065 0 CA-C-O 117.289 -1.338 . . . . 0.0 109.025 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 N--CA 1.49 1.297 0 C-N-CA 122.862 2.374 . . . . 0.0 111.722 178.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.018 0 O-C-N 118.687 -2.508 . . . . 0.0 115.735 -178.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.059 0 C-N-CA 126.662 1.985 . . . . 0.0 110.894 -179.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.506 -0.887 0 C-N-CA 123.477 2.785 . . . . 0.0 115.463 178.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-N 121.271 1.851 . . . . 0.0 113.445 178.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 124.958 1.303 . . . . 0.0 107.991 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.822 0 C-N-CA 119.055 -1.058 . . . . 0.0 109.756 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.608 -0.682 . . . . 0.0 109.282 179.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 114.24 -1.346 . . . . 0.0 109.709 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-N 119.598 1.09 . . . . 0.0 111.899 -177.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 117.066 -1.445 . . . . 0.0 111.857 -177.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 -178.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.256 1.445 0 CA-C-N 114.554 -1.203 . . . . 0.0 109.193 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-O 124.864 2.268 . . . . 0.0 109.467 178.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.499 -1.014 0 CA-C-N 112.71 -2.041 . . . . 0.0 111.285 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-N 121.144 1.793 . . . . 0.0 112.734 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.323 0 CA-C-O 118.45 -0.786 . . . . 0.0 112.262 -176.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 O-C-N 124.05 0.844 . . . . 0.0 109.079 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-O 115.212 -2.328 . . . . 0.0 110.913 -178.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.229 0 O-C-N 127.598 3.061 . . . . 0.0 110.978 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.772 0 C-N-CA 127.402 2.281 . . . . 0.0 113.767 -177.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 125.946 2.029 . . . . 0.0 112.228 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.255 1.435 0 CA-C-N 121.268 1.849 . . . . 0.0 114.763 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.587 0 C-N-CA 124.766 1.226 . . . . 0.0 111.435 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 107.205 -1.405 . . . . 0.0 107.205 178.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 178.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 O-C-N 124.821 1.325 . . . . 0.0 110.027 -178.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 113.685 -1.598 . . . . 0.0 111.015 178.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.524 0 C-N-CA 127.167 2.187 . . . . 0.0 112.488 -178.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 113.708 -1.587 . . . . 0.0 111.972 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-O 116.776 -1.583 . . . . 0.0 111.673 -178.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 126.54 2.4 . . . . 0.0 107.572 178.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.437 -1.08 0 C-N-CA 126.394 1.878 . . . . 0.0 113.171 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.634 -179.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.192 0 O-C-N 124.431 1.082 . . . . 0.0 108.219 178.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 116.61 -1.662 . . . . 0.0 112.153 179.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.257 1.499 0 N-CA-C 115.963 1.838 . . . . 0.0 115.963 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 O-C-N 124.462 1.101 . . . . 0.0 111.097 -177.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.138 0 O-C-N 125.484 1.74 . . . . 0.0 111.343 -178.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.071 0 C-N-CA 127.299 2.24 . . . . 0.0 107.455 179.155 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 500' ' ' MXT . . . . . 0.841 H231 ' O11' ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 600' ' ' MXT . . . . . 0.744 H231 ' O12' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.821 ' N ' ' O12' ' A' ' 500' ' ' MXT . 43.3 t -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.85 ' N ' ' O12' ' A' ' 500' ' ' MXT . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.305 0 O-C-N 125.664 1.852 . . . . 0.0 106.864 167.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.745 1 O-C-N 129.163 4.244 . . . . 0.0 107.953 -174.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.905 0 CA-C-N 121.013 1.733 . . . . 0.0 112.602 -177.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.502 2.163 0 CA-C-N 114.267 -1.333 . . . . 0.0 110.919 -177.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.195 0 C-N-CA 127.008 2.123 . . . . 0.0 110.238 -177.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.451 0 O-C-N 120.909 -1.12 . . . . 0.0 109.845 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.6 0 N-CA-C 105.936 -1.876 . . . . 0.0 105.936 -177.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 127.127 2.767 . . . . 0.0 107.774 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.767 0 CA-C-O 115.395 -2.241 . . . . 0.0 106.492 179.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.572 1 O-C-N 130.694 4.996 . . . . 0.0 106.298 176.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.148 0 CA-C-O 113.7 -3.048 . . . . 0.0 105.899 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.466 0 CA-C-N 121.161 1.8 . . . . 0.0 110.046 -177.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 125.883 1.99 . . . . 0.0 105.77 -176.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.347 0 O-C-N 127.564 3.04 . . . . 0.0 112.798 -176.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.267 1.978 0 O-C-N 127.246 2.841 . . . . 0.0 112.21 177.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 122.173 2.26 . . . . 0.0 111.903 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--O 1.225 -0.225 0 O-C-N 126.659 2.475 . . . . 0.0 109.725 -174.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--O 1.242 0.681 0 C-N-CA 124.624 3.55 . . . . 0.0 111.945 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.475 0.816 0 CA-C-N 111.759 -2.473 . . . . 0.0 106.775 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.238 0 O-C-N 127.516 3.377 . . . . 0.0 107.917 178.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.329 -0.498 0 O-C-N 124.311 1.69 . . . . 0.0 108.309 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.619 0 O-C-N 127.023 2.702 . . . . 0.0 112.175 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -2.015 0 C-N-CA 126.773 2.029 . . . . 0.0 114.926 -174.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.694 0 N-CA-C 107.729 -1.211 . . . . 0.0 107.729 175.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 124.917 1.386 . . . . 0.0 113.595 -175.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.424 0 CA-C-O 117.423 -1.275 . . . . 0.0 112.796 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.297 0 CA-C-N 121.763 2.074 . . . . 0.0 114.945 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.311 -1.438 0 C-N-CA 122.128 1.885 . . . . 0.0 113.328 178.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.898 0 C-N-CA 129.787 3.235 . . . . 0.0 112.247 178.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.033 0 O-C-N 119.425 -2.047 . . . . 0.0 109.509 178.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.559 1.326 0 CA-C-O 115.607 -2.139 . . . . 0.0 109.238 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 127.336 2.898 . . . . 0.0 109.371 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.22 0 O-C-N 120.309 -1.495 . . . . 0.0 112.882 177.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-O 122.012 0.91 . . . . 0.0 113.341 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.252 0 C-N-CA 126.502 1.921 . . . . 0.0 109.281 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 125.077 1.485 . . . . 0.0 110.245 175.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.159 0 C-N-CA 127.065 2.146 . . . . 0.0 114.583 178.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 1.987 0 CA-C-O 117.13 -1.928 . . . . 0.0 112.376 178.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 118.138 0.969 . . . . 0.0 108.523 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 175.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.949 0 C-N-CA 123.932 0.893 . . . . 0.0 112.823 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.478 0 N-CA-C 114.946 1.462 . . . . 0.0 114.946 -175.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.072 0 C-N-CA 124.995 1.318 . . . . 0.0 108.084 175.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 177.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.947 0 CA-C-N 114.278 -1.328 . . . . 0.0 110.112 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-O 116.02 -1.943 . . . . 0.0 112.341 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.56 0 N-CA-C 116.554 2.057 . . . . 0.0 116.554 -174.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.57 0 CA-C-O 122.722 1.248 . . . . 0.0 112.295 -178.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 122.347 2.032 . . . . 0.0 115.142 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 177.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.408 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 178.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.114 0 O-C-N 118.372 -2.705 . . . . 0.0 114.666 -179.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.253 1.258 0 N-CA-C 115.984 1.846 . . . . 0.0 115.984 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.068 0 CA-C-N 120.225 1.116 . . . . 0.0 114.868 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.306 1.042 . . . . 0.0 112.038 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 O-C-N 125.042 1.464 . . . . 0.0 111.455 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.32 0 N-CA-C 116.931 2.197 . . . . 0.0 116.931 179.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 127.624 2.37 . . . . 0.0 115.57 -178.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.863 0 N-CA-C 117.155 2.28 . . . . 0.0 117.155 -178.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.068 0 CA-C-O 115.721 -2.71 . . . . 0.0 118.934 177.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.924 0 CA-C-N 124.125 3.963 . . . . 0.0 111.417 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-O 115.593 -2.146 . . . . 0.0 106.269 177.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.513 0 O-C-N 125.522 1.764 . . . . 0.0 107.608 -178.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.49 0 O-C-N 125.736 1.897 . . . . 0.0 111.477 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.368 0 CA-C-O 122.164 0.983 . . . . 0.0 110.696 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.248 1.022 0 N-CA-C 106.719 -1.586 . . . . 0.0 106.719 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 1.984 0 O-C-N 126.048 2.093 . . . . 0.0 116.173 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.264 1.82 0 CA-C-O 117.928 -1.034 . . . . 0.0 112.597 -178.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.485 1.931 0 N-CA-C 107.825 -2.11 . . . . 0.0 107.825 -178.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 125.324 2.488 . . . . 0.0 112.666 -177.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.839 0 CA-C-N 110.893 -2.867 . . . . 0.0 110.397 179.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.314 -0.954 0 O-C-N 126.346 2.279 . . . . 0.0 105.417 176.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.401 0 N-CA-C 117.788 2.514 . . . . 0.0 117.788 -176.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 178.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 103.849 -2.648 . . . . 0.0 103.849 177.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 CA-C-N 111.97 -2.377 . . . . 0.0 108.038 -179.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.309 0 N-CA-C 118.523 2.169 . . . . 0.0 118.523 -178.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.243 0.728 0 O-C-N 121.507 -0.996 . . . . 0.0 112.24 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.66 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -177.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-O 124.205 1.955 . . . . 0.0 110.057 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.915 0 CA-C-N 113.432 -1.713 . . . . 0.0 108.339 -178.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.463 0.47 0 CA-C-N 114.058 -1.428 . . . . 0.0 110.157 179.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 124.86 0.976 . . . . 0.0 109.969 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.993 0 CA-C-N 114.375 -1.284 . . . . 0.0 109.361 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.484 1.228 0 O-C-N 124.519 1.137 . . . . 0.0 110.177 178.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.31 -0.864 0 N-CA-C 119.048 2.379 . . . . 0.0 119.048 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.854 0 O-C-N 120.888 -1.36 . . . . 0.0 109.085 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 178.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.875 0 O-C-N 125.719 1.887 . . . . 0.0 110.308 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.339 0.59 . . . . 0.0 111.858 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 115.733 -2.08 . . . . 0.0 108.826 -177.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.912 0 O-C-N 127.236 2.835 . . . . 0.0 110.351 178.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 117.63 -1.176 . . . . 0.0 109.598 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 O-C-N 128.174 3.422 . . . . 0.0 112.822 -177.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.263 0 O-C-N 125.106 1.504 . . . . 0.0 111.718 -178.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 123.931 0.892 . . . . 0.0 110.23 178.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 118.047 2.61 . . . . 0.0 118.047 175.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.313 -1.02 0 C-N-CA 124.063 0.945 . . . . 0.0 109.052 177.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 127.436 2.96 . . . . 0.0 111.319 -177.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.305 -1.351 0 C-N-CA 129.977 3.311 . . . . 0.0 108.962 178.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.942 0 O-C-N 126.752 2.533 . . . . 0.0 113.737 -178.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 115.284 1.587 . . . . 0.0 115.284 -178.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 124.666 1.229 . . . . 0.0 109.937 178.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.303 -1.436 0 C-N-CA 124.045 0.938 . . . . 0.0 109.161 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 123.502 0.721 . . . . 0.0 112.719 -178.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-O 116.976 -1.487 . . . . 0.0 110.981 -177.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.668 0 CA-C-O 116.758 -1.591 . . . . 0.0 110.683 -176.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.165 0 CA-C-N 119.554 1.07 . . . . 0.0 112.849 -178.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 124.976 1.31 . . . . 0.0 111.636 -178.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 125.049 1.468 . . . . 0.0 108.335 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 126.547 2.404 . . . . 0.0 111.641 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 0.985 0 C-N-CA 120.166 -0.614 . . . . 0.0 110.533 177.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 -177.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.522 0 C-N-CA 125.724 1.609 . . . . 0.0 111.272 177.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.466 0.668 0 O-C-N 121.301 -0.875 . . . . 0.0 114.31 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.647 0 O-C-N 119.829 -1.794 . . . . 0.0 109.669 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.902 0 N-CA-C 116.353 1.983 . . . . 0.0 116.353 -176.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 125.306 1.629 . . . . 0.0 110.29 -176.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 112.538 -2.119 . . . . 0.0 108.325 176.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 N-CA-C 104.526 -2.398 . . . . 0.0 104.526 178.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 125.443 1.714 . . . . 0.0 108.276 -177.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.272 0 O-C-N 125.868 1.98 . . . . 0.0 110.993 -175.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.433 0 O-C-N 126.277 2.725 . . . . 0.0 115.002 -176.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.551 0 O-C-N 120.462 -1.399 . . . . 0.0 113.841 177.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.367 0 N-CA-C 115.578 1.695 . . . . 0.0 115.578 -176.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.263 1.815 0 CA-C-O 115.149 -2.357 . . . . 0.0 112.826 -178.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.65 0 CA-C-N 120.863 1.665 . . . . 0.0 114.847 -178.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.034 0 C-N-CA 127.026 2.13 . . . . 0.0 111.251 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 O-C-N 126.212 2.195 . . . . 0.0 110.488 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 125.413 1.485 . . . . 0.0 107.087 177.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.715 0 C-N-CA 126.558 1.943 . . . . 0.0 112.607 178.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.171 0 CA-C-N 113.189 -1.823 . . . . 0.0 111.42 -177.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.132 0 C-N-CA 123.774 0.83 . . . . 0.0 113.178 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 104.142 -2.54 . . . . 0.0 104.142 177.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 104.85 -2.278 . . . . 0.0 104.85 178.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 128.49 3.618 . . . . 0.0 116.99 -175.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.318 0 N-CA-C 105.271 -3.132 . . . . 0.0 105.271 177.118 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.346 0 O-C-N 128.448 3.087 . . . . 0.0 106.541 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.244 0.804 0 C-N-CA 118.925 -1.11 . . . . 0.0 112.722 -177.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 177.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.839 0 CA-C-O 122.444 1.116 . . . . 0.0 108.091 176.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.295 0 C-N-CA 121.502 1.468 . . . . 0.0 111.849 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 177.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 105.331 -2.1 . . . . 0.0 105.331 177.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 122.822 1.296 . . . . 0.0 110.098 -176.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.176 0 CA-C-N 112.643 -2.071 . . . . 0.0 112.746 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.307 -1.253 0 CA-C-N 118.182 0.991 . . . . 0.0 110.749 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.945 0 O-C-N 123.502 1.264 . . . . 0.0 111.65 177.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.022 0 N-CA-C 103.164 -2.902 . . . . 0.0 103.164 178.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.341 0 O-C-N 126.858 2.599 . . . . 0.0 112.242 -178.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.69 0 N-CA-C 107.575 -1.74 . . . . 0.0 107.575 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.94 0 O-C-N 128.058 3.349 . . . . 0.0 103.017 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.994 0 CA-C-O 115.977 -1.963 . . . . 0.0 108.874 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.839 0 N-CA-C 104.063 -3.615 . . . . 0.0 104.063 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.516 0 CA-C-O 115.662 -2.113 . . . . 0.0 109.492 -178.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.746 0 N-CA-C 103.687 -2.708 . . . . 0.0 103.687 -178.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.498 -1.057 0 O-C-N 127.734 3.146 . . . . 0.0 113.532 -178.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 106.375 -1.713 . . . . 0.0 106.375 -177.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.499 2.884 0 O-C-N 126.248 2.217 . . . . 0.0 107.654 -179.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.074 -2.427 . . . . 0.0 110.271 -177.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--N 1.302 -1.472 0 N-CA-C 100.648 -3.834 . . . . 0.0 100.648 -175.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.316 0 CA-C-O 115.23 -2.071 . . . . 0.0 112.093 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.813 0 CA-C-N 120.715 1.598 . . . . 0.0 109.629 177.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.274 2.378 0 CA-C-N 112.808 -1.996 . . . . 0.0 110.631 178.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.292 0 O-C-N 120.931 -1.106 . . . . 0.0 110.39 178.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.556 1.177 0 O-C-N 125.764 1.915 . . . . 0.0 110.262 -178.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.069 0 O-C-N 127.032 2.708 . . . . 0.0 107.02 178.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.484 -1.582 0 CA-C-O 122.2 1.0 . . . . 0.0 112.937 177.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.442 -0.868 0 O-C-N 117.529 -3.232 . . . . 0.0 114.576 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.792 0 O-C-N 125.557 1.786 . . . . 0.0 108.166 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.55 1 O-C-N 129.267 4.105 . . . . 0.0 109.75 179.209 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 120.065 -1.647 . . . . 0.0 111.83 179.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 125.08 1.352 . . . . 0.0 112.788 178.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.067 0 C-N-CA 128.03 2.729 . . . . 0.0 114.275 -178.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.248 0 C-N-CA 128.255 2.622 . . . . 0.0 111.521 -178.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 C-N-CA 117.559 -1.656 . . . . 0.0 107.366 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.071 0 CA-C-O 117.257 -1.354 . . . . 0.0 109.042 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.312 0 C-N-CA 122.884 2.389 . . . . 0.0 111.786 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.013 0 O-C-N 118.693 -2.504 . . . . 0.0 115.709 -178.51 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.046 0 C-N-CA 126.657 1.983 . . . . 0.0 110.918 178.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.955 0 C-N-CA 123.393 2.729 . . . . 0.0 115.508 175.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-N 121.284 1.856 . . . . 0.0 113.492 177.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 124.96 1.304 . . . . 0.0 108.043 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.839 0 C-N-CA 119.063 -1.055 . . . . 0.0 109.752 179.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.601 -0.687 . . . . 0.0 109.291 179.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 C--O 1.244 0.764 0 CA-C-N 114.286 -1.325 . . . . 0.0 109.735 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 119.584 1.084 . . . . 0.0 111.931 -177.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-O 117.089 -1.434 . . . . 0.0 111.848 -178.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 -178.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.451 0 CA-C-N 114.577 -1.192 . . . . 0.0 109.183 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-O 124.9 2.286 . . . . 0.0 109.414 178.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.032 0 CA-C-N 112.757 -2.02 . . . . 0.0 111.287 178.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-N 121.158 1.799 . . . . 0.0 112.768 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.253 1.272 0 CA-C-O 118.463 -0.78 . . . . 0.0 112.3 -176.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 O-C-N 124.104 0.878 . . . . 0.0 109.106 -179.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-O 115.265 -2.303 . . . . 0.0 110.868 -178.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.309 -1.184 0 O-C-N 127.559 3.037 . . . . 0.0 111.019 179.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.788 0 C-N-CA 127.395 2.278 . . . . 0.0 113.751 -177.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 125.98 2.05 . . . . 0.0 112.16 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.365 0 CA-C-N 121.345 1.884 . . . . 0.0 114.862 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.587 0 C-N-CA 124.762 1.225 . . . . 0.0 111.427 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 107.113 -1.44 . . . . 0.0 107.113 178.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 178.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 O-C-N 124.812 1.32 . . . . 0.0 110.059 -178.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 113.64 -1.618 . . . . 0.0 111.037 178.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 127.157 2.183 . . . . 0.0 112.506 -178.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 113.708 -1.587 . . . . 0.0 111.953 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.663 0 CA-C-O 116.783 -1.58 . . . . 0.0 111.67 -178.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 126.555 2.409 . . . . 0.0 107.554 178.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.026 0 C-N-CA 126.394 1.878 . . . . 0.0 113.155 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.626 -179.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.163 0 O-C-N 124.404 1.065 . . . . 0.0 108.228 178.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-O 116.548 -1.692 . . . . 0.0 112.11 179.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.503 0 N-CA-C 115.916 1.821 . . . . 0.0 115.916 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.688 0 O-C-N 124.421 1.076 . . . . 0.0 111.118 -177.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.126 0 O-C-N 125.486 1.741 . . . . 0.0 111.338 -178.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.051 0 C-N-CA 127.296 2.238 . . . . 0.0 107.453 179.054 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 500' ' ' MXT . . . . . 0.877 H231 ' O11' ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 600' ' ' MXT . . . . . 0.889 ' O11' H231 ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.496 ' HB2' H121 ' A' ' 500' ' ' MXT . 28.1 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.506 2.335 0 O-C-N 125.664 1.852 . . . . 0.0 106.868 169.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.717 1 O-C-N 129.174 4.25 . . . . 0.0 107.94 -176.064 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.909 0 CA-C-N 120.968 1.713 . . . . 0.0 112.629 -178.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.502 2.147 0 CA-C-N 114.26 -1.336 . . . . 0.0 110.956 -176.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.185 0 C-N-CA 126.976 2.11 . . . . 0.0 110.202 -177.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.256 1.421 0 O-C-N 120.858 -1.151 . . . . 0.0 109.829 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.554 0 N-CA-C 105.899 -1.889 . . . . 0.0 105.899 179.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 127.155 2.785 . . . . 0.0 107.815 176.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.779 0 CA-C-O 115.499 -2.191 . . . . 0.0 106.41 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.529 1 O-C-N 130.65 4.969 . . . . 0.0 106.279 174.036 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.166 0 CA-C-O 113.728 -3.034 . . . . 0.0 105.878 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.435 0 CA-C-N 121.177 1.808 . . . . 0.0 109.991 -177.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.296 -1.758 0 O-C-N 125.862 1.976 . . . . 0.0 105.798 -176.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.35 0 O-C-N 127.483 2.989 . . . . 0.0 112.733 -176.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.926 0 O-C-N 127.227 2.829 . . . . 0.0 112.257 177.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.901 0 O-C-N 119.072 -2.268 . . . . 0.0 111.927 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.33 -0.252 0 O-C-N 126.671 2.482 . . . . 0.0 109.699 -174.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.716 0 C-N-CA 124.648 3.565 . . . . 0.0 111.948 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.842 0 CA-C-N 111.724 -2.489 . . . . 0.0 106.795 179.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.315 -1.231 0 O-C-N 127.451 3.343 . . . . 0.0 107.857 179.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.521 0 O-C-N 124.304 1.686 . . . . 0.0 108.296 178.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.6 0 O-C-N 127.063 2.727 . . . . 0.0 112.123 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.986 0 C-N-CA 126.758 2.023 . . . . 0.0 114.915 -174.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.696 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 175.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 124.892 1.37 . . . . 0.0 113.62 -175.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.434 0 CA-C-O 117.412 -1.28 . . . . 0.0 112.798 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.314 0 CA-C-N 121.711 2.051 . . . . 0.0 114.945 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.478 0 C-N-CA 122.189 1.926 . . . . 0.0 113.322 178.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.292 -1.892 0 C-N-CA 129.773 3.229 . . . . 0.0 112.306 178.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.028 0 O-C-N 119.436 -2.04 . . . . 0.0 109.545 177.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.342 0 CA-C-O 115.581 -2.152 . . . . 0.0 109.256 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 127.408 2.942 . . . . 0.0 109.392 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.253 1.259 0 O-C-N 120.329 -1.482 . . . . 0.0 112.845 177.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-O 122.007 0.908 . . . . 0.0 113.308 179.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.271 0 C-N-CA 126.511 1.924 . . . . 0.0 109.271 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.78 0 O-C-N 125.128 1.517 . . . . 0.0 110.28 175.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.16 0 C-N-CA 127.092 2.157 . . . . 0.0 114.599 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 1.982 0 CA-C-O 117.083 -1.954 . . . . 0.0 112.387 178.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.42 0 CA-C-N 118.117 0.959 . . . . 0.0 108.48 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 107.294 -1.373 . . . . 0.0 107.294 176.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.963 0 C-N-CA 123.938 0.895 . . . . 0.0 112.883 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.455 0 N-CA-C 114.973 1.471 . . . . 0.0 114.973 -175.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.087 0 C-N-CA 125.008 1.323 . . . . 0.0 108.092 175.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 107.929 -1.138 . . . . 0.0 107.929 177.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.954 0 CA-C-N 114.311 -1.313 . . . . 0.0 110.097 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-O 115.953 -1.975 . . . . 0.0 112.34 178.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.567 0 N-CA-C 116.567 2.062 . . . . 0.0 116.567 -174.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.583 0 CA-C-O 122.741 1.258 . . . . 0.0 112.297 -178.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 122.397 2.065 . . . . 0.0 115.116 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 177.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.447 0 N-CA-C 115.191 1.552 . . . . 0.0 115.191 178.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.131 0 O-C-N 118.311 -2.743 . . . . 0.0 114.649 -179.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.298 0 N-CA-C 116.006 1.854 . . . . 0.0 116.006 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.041 0 CA-C-N 120.216 1.113 . . . . 0.0 114.857 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.264 1.025 . . . . 0.0 112.012 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 O-C-N 125.098 1.499 . . . . 0.0 111.471 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.255 1.344 0 N-CA-C 116.913 2.19 . . . . 0.0 116.913 179.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.674 0 C-N-CA 127.654 2.382 . . . . 0.0 115.593 -178.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.246 0.871 0 N-CA-C 117.123 2.268 . . . . 0.0 117.123 -178.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.06 0 CA-C-O 115.663 -2.743 . . . . 0.0 118.861 177.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.948 0 CA-C-N 124.17 3.985 . . . . 0.0 111.424 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-O 115.616 -2.135 . . . . 0.0 106.293 177.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.501 0 O-C-N 125.544 1.778 . . . . 0.0 107.678 -179.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.454 0 O-C-N 125.759 1.912 . . . . 0.0 111.513 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-O 122.087 0.946 . . . . 0.0 110.727 179.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.07 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.266 1.96 0 O-C-N 126.038 2.086 . . . . 0.0 116.202 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.801 0 CA-C-O 117.876 -1.059 . . . . 0.0 112.552 -178.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.485 1.929 0 N-CA-C 107.797 -2.121 . . . . 0.0 107.797 -178.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 125.298 2.475 . . . . 0.0 112.69 -177.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.853 0 CA-C-N 110.916 -2.856 . . . . 0.0 110.407 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -0.981 0 O-C-N 126.319 2.262 . . . . 0.0 105.414 176.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.347 0 N-CA-C 117.771 2.508 . . . . 0.0 117.771 -176.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 178.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 103.831 -2.655 . . . . 0.0 103.831 177.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 CA-C-N 111.992 -2.367 . . . . 0.0 108.026 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.307 0 N-CA-C 118.532 2.173 . . . . 0.0 118.532 -178.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 O-C-N 121.445 -1.033 . . . . 0.0 112.245 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.672 0 O-C-N 123.681 0.613 . . . . 0.0 112.567 -177.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.865 0 CA-C-O 124.277 1.989 . . . . 0.0 110.035 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.895 0 CA-C-N 113.422 -1.717 . . . . 0.0 108.401 -178.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.464 0.502 0 CA-C-N 114.021 -1.445 . . . . 0.0 110.151 179.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 124.779 0.929 . . . . 0.0 110.009 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 1.0 0 CA-C-N 114.405 -1.27 . . . . 0.0 109.367 179.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.211 0 O-C-N 124.506 1.129 . . . . 0.0 110.22 178.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 CA--C 1.501 -0.839 0 N-CA-C 119.035 2.374 . . . . 0.0 119.035 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.822 0 O-C-N 120.87 -1.37 . . . . 0.0 109.038 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.295 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 178.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.884 0 O-C-N 125.724 1.89 . . . . 0.0 110.296 179.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.342 0.591 . . . . 0.0 111.919 -179.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 115.702 -2.094 . . . . 0.0 108.815 -177.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.92 0 O-C-N 127.259 2.85 . . . . 0.0 110.362 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-O 117.629 -1.177 . . . . 0.0 109.544 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 O-C-N 128.14 3.4 . . . . 0.0 112.788 -177.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.273 0 O-C-N 125.092 1.495 . . . . 0.0 111.698 -178.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 123.903 0.881 . . . . 0.0 110.157 178.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 118.056 2.613 . . . . 0.0 118.056 175.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.053 0 C-N-CA 124.112 0.965 . . . . 0.0 109.07 177.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 127.376 2.922 . . . . 0.0 111.359 -177.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.387 0 C-N-CA 129.998 3.319 . . . . 0.0 109.003 178.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.929 0 O-C-N 126.795 2.559 . . . . 0.0 113.745 -178.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 115.288 1.588 . . . . 0.0 115.288 -178.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 124.671 1.232 . . . . 0.0 109.972 178.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.303 -1.414 0 C-N-CA 124.048 0.939 . . . . 0.0 109.204 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.878 0 C-N-CA 123.525 0.73 . . . . 0.0 112.703 -178.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 1.5 p -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-O 117.011 -1.471 . . . . 0.0 110.995 -177.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 CA-C-O 116.759 -1.591 . . . . 0.0 110.7 -176.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.159 0 CA-C-N 119.547 1.067 . . . . 0.0 112.801 -178.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 124.91 1.284 . . . . 0.0 111.716 -178.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 125.007 1.442 . . . . 0.0 108.291 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 126.574 2.422 . . . . 0.0 111.634 -178.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.025 0 C-N-CA 120.173 -0.611 . . . . 0.0 110.496 177.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 114.309 1.226 . . . . 0.0 114.309 -177.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 125.724 1.61 . . . . 0.0 111.236 177.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 C--O 1.243 0.673 0 O-C-N 121.339 -0.851 . . . . 0.0 114.238 -179.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.51 -0.588 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 179.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 119.856 -1.778 . . . . 0.0 109.646 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 116.364 1.987 . . . . 0.0 116.364 -176.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 125.259 1.599 . . . . 0.0 110.313 -176.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--O 1.212 -0.914 0 CA-C-N 112.495 -2.139 . . . . 0.0 108.283 176.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 N-CA-C 104.492 -2.41 . . . . 0.0 104.492 178.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 125.433 1.708 . . . . 0.0 108.283 -177.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.301 0 O-C-N 125.87 1.981 . . . . 0.0 111.019 -175.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.442 0 O-C-N 126.29 2.732 . . . . 0.0 115.004 -176.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.259 1.559 0 O-C-N 120.406 -1.434 . . . . 0.0 113.851 177.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.39 0 N-CA-C 115.613 1.708 . . . . 0.0 115.613 -176.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.264 1.862 0 CA-C-O 115.085 -2.388 . . . . 0.0 112.765 -178.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.637 0 CA-C-N 120.959 1.709 . . . . 0.0 114.806 -177.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.311 -1.077 0 C-N-CA 127.045 2.138 . . . . 0.0 111.15 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 O-C-N 126.181 2.175 . . . . 0.0 110.475 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 125.369 1.468 . . . . 0.0 107.066 177.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.737 0 C-N-CA 126.575 1.95 . . . . 0.0 112.617 178.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.252 1.191 0 CA-C-N 113.211 -1.813 . . . . 0.0 111.43 -177.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.14 0 C-N-CA 123.85 0.86 . . . . 0.0 113.191 -179.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 104.162 -2.533 . . . . 0.0 104.162 177.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 104.818 -2.289 . . . . 0.0 104.818 178.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 128.492 3.62 . . . . 0.0 116.989 -175.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.335 0 N-CA-C 105.285 -3.126 . . . . 0.0 105.285 177.091 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.273 2.321 0 O-C-N 128.507 3.122 . . . . 0.0 106.505 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.859 0 C-N-CA 118.932 -1.107 . . . . 0.0 112.706 -177.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.773 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 177.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.831 0 CA-C-O 122.464 1.126 . . . . 0.0 108.044 176.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.445 -1.332 0 C-N-CA 121.534 1.49 . . . . 0.0 111.878 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.313 -0.996 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 176.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 105.357 -2.09 . . . . 0.0 105.357 177.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 122.801 1.286 . . . . 0.0 110.081 -176.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.25 1.133 0 CA-C-N 112.676 -2.057 . . . . 0.0 112.792 178.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.212 0 CA-C-N 118.146 0.973 . . . . 0.0 110.734 179.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.916 0 O-C-N 123.462 1.243 . . . . 0.0 111.624 177.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.051 0 N-CA-C 103.144 -2.91 . . . . 0.0 103.144 179.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.333 0 O-C-N 126.913 2.633 . . . . 0.0 112.233 -178.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.44 -1.638 0 N-CA-C 107.565 -1.744 . . . . 0.0 107.565 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.977 0 O-C-N 128.113 3.383 . . . . 0.0 102.966 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.984 0 CA-C-O 116.03 -1.938 . . . . 0.0 108.812 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 C--N 1.293 -1.814 0 N-CA-C 104.115 -3.594 . . . . 0.0 104.115 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.257 1.495 0 CA-C-O 115.656 -2.116 . . . . 0.0 109.484 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.569 1.711 0 N-CA-C 103.683 -2.71 . . . . 0.0 103.683 -177.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.07 0 O-C-N 127.711 3.132 . . . . 0.0 113.55 -176.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 106.34 -1.726 . . . . 0.0 106.34 -179.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.501 2.981 0 O-C-N 126.258 2.224 . . . . 0.0 107.626 -178.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 120.669 -1.489 . . . . 0.0 110.271 -177.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.335 1 O-C-N 115.465 -4.522 . . . . 0.0 100.657 -173.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.445 -1.324 0 CA-C-O 115.22 -2.075 . . . . 0.0 112.13 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.272 -2.799 0 CA-C-N 120.725 1.602 . . . . 0.0 109.577 177.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.274 2.394 0 CA-C-N 112.823 -1.989 . . . . 0.0 110.609 178.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.281 0 O-C-N 120.918 -1.114 . . . . 0.0 110.366 178.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.148 0 O-C-N 125.774 1.921 . . . . 0.0 110.27 -178.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.07 0 O-C-N 127.007 2.692 . . . . 0.0 107.031 178.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.61 0 CA-C-O 122.22 1.01 . . . . 0.0 112.903 177.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.909 0 O-C-N 117.426 -3.296 . . . . 0.0 114.587 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.815 0 O-C-N 125.581 1.801 . . . . 0.0 108.166 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.299 -1.588 1 O-C-N 129.21 4.069 . . . . 0.0 109.732 179.185 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 120.023 -1.673 . . . . 0.0 111.879 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 125.084 1.354 . . . . 0.0 112.769 178.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.049 0 C-N-CA 127.977 2.703 . . . . 0.0 114.343 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.267 0 C-N-CA 128.276 2.63 . . . . 0.0 111.491 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 C-N-CA 117.591 -1.644 . . . . 0.0 107.398 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.098 0 CA-C-O 117.312 -1.327 . . . . 0.0 108.992 -179.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 N--CA 1.49 1.287 0 C-N-CA 122.883 2.389 . . . . 0.0 111.755 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.018 0 O-C-N 118.652 -2.53 . . . . 0.0 115.69 -178.058 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.311 -1.081 0 C-N-CA 126.621 1.968 . . . . 0.0 110.924 -178.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.936 0 C-N-CA 123.41 2.74 . . . . 0.0 115.527 177.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-N 121.242 1.837 . . . . 0.0 113.409 178.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 124.979 1.312 . . . . 0.0 108.01 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.244 0.813 0 C-N-CA 119.092 -1.043 . . . . 0.0 109.75 179.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.547 -0.72 . . . . 0.0 109.258 179.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 114.254 -1.339 . . . . 0.0 109.741 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 119.554 1.07 . . . . 0.0 111.954 -177.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-O 117.059 -1.448 . . . . 0.0 111.862 -178.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 -178.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.494 0 CA-C-N 114.62 -1.173 . . . . 0.0 109.135 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-O 124.891 2.281 . . . . 0.0 109.442 178.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.499 -1.012 0 CA-C-N 112.705 -2.043 . . . . 0.0 111.258 178.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-N 121.123 1.783 . . . . 0.0 112.758 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.31 0 CA-C-O 118.421 -0.8 . . . . 0.0 112.279 -176.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 O-C-N 124.105 0.878 . . . . 0.0 109.126 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-O 115.171 -2.347 . . . . 0.0 110.883 -178.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.227 0 O-C-N 127.611 3.069 . . . . 0.0 111.014 179.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.768 0 C-N-CA 127.436 2.294 . . . . 0.0 113.741 -177.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 125.931 2.02 . . . . 0.0 112.2 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.255 1.409 0 CA-C-N 121.293 1.861 . . . . 0.0 114.796 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.554 0 C-N-CA 124.821 1.248 . . . . 0.0 111.42 179.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 178.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 178.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 O-C-N 124.827 1.329 . . . . 0.0 110.015 -178.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 113.666 -1.607 . . . . 0.0 111.05 178.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 127.092 2.157 . . . . 0.0 112.536 -178.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 113.697 -1.592 . . . . 0.0 111.959 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.659 0 CA-C-O 116.738 -1.601 . . . . 0.0 111.661 -178.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 126.526 2.391 . . . . 0.0 107.543 178.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 C--N 1.312 -1.038 0 C-N-CA 126.407 1.883 . . . . 0.0 113.147 179.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.592 -179.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.308 -1.221 0 O-C-N 124.477 1.11 . . . . 0.0 108.238 178.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-O 116.577 -1.677 . . . . 0.0 112.146 179.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.5 0 N-CA-C 115.881 1.808 . . . . 0.0 115.881 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 O-C-N 124.474 1.109 . . . . 0.0 111.103 -177.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.134 0 O-C-N 125.472 1.732 . . . . 0.0 111.371 -178.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.098 0 C-N-CA 127.274 2.23 . . . . 0.0 107.454 179.112 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 500' ' ' MXT . . . . . 0.601 H221 ' O11' ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 600' ' ' MXT . . . . . 0.859 ' O11' H231 ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.501 ' HB3' H122 ' A' ' 500' ' ' MXT . 0.5 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.316 0 O-C-N 125.664 1.852 . . . . 0.0 106.845 170.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.738 1 O-C-N 129.223 4.275 . . . . 0.0 107.996 -176.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.924 0 CA-C-N 121.021 1.737 . . . . 0.0 112.621 -177.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.194 0 CA-C-N 114.197 -1.365 . . . . 0.0 110.923 -178.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.189 0 C-N-CA 126.991 2.116 . . . . 0.0 110.219 -177.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.474 0 O-C-N 120.87 -1.144 . . . . 0.0 109.848 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.597 0 N-CA-C 105.913 -1.884 . . . . 0.0 105.913 -178.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 127.138 2.774 . . . . 0.0 107.833 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.57 1.74 0 CA-C-O 115.494 -2.193 . . . . 0.0 106.439 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.562 1 O-C-N 130.642 4.964 . . . . 0.0 106.336 171.267 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.137 0 CA-C-O 113.74 -3.029 . . . . 0.0 105.836 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.452 0 CA-C-N 121.094 1.77 . . . . 0.0 110.057 -177.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.768 0 O-C-N 125.848 1.967 . . . . 0.0 105.771 -176.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.386 0 O-C-N 127.469 2.981 . . . . 0.0 112.756 -176.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.937 0 O-C-N 127.188 2.805 . . . . 0.0 112.26 177.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 122.12 2.236 . . . . 0.0 111.877 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.33 -0.242 0 O-C-N 126.69 2.494 . . . . 0.0 109.658 -174.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.727 0 C-N-CA 124.634 3.556 . . . . 0.0 111.941 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.836 0 CA-C-N 111.735 -2.484 . . . . 0.0 106.761 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.313 -1.317 0 O-C-N 127.497 3.367 . . . . 0.0 107.91 178.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.329 -0.467 0 O-C-N 124.279 1.673 . . . . 0.0 108.349 178.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.59 0 O-C-N 127.017 2.698 . . . . 0.0 112.172 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.291 -1.968 0 C-N-CA 126.765 2.026 . . . . 0.0 114.869 -174.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.691 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 174.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 124.864 1.352 . . . . 0.0 113.618 -175.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.257 1.448 0 CA-C-O 117.439 -1.267 . . . . 0.0 112.817 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.338 0 CA-C-N 121.755 2.07 . . . . 0.0 114.93 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.311 -1.433 0 C-N-CA 122.176 1.918 . . . . 0.0 113.342 178.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.873 0 C-N-CA 129.734 3.214 . . . . 0.0 112.326 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.052 0 O-C-N 119.475 -2.016 . . . . 0.0 109.506 177.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.331 0 CA-C-O 115.614 -2.136 . . . . 0.0 109.273 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 127.371 2.919 . . . . 0.0 109.384 179.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.21 0 O-C-N 120.292 -1.505 . . . . 0.0 112.888 177.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-O 122.011 0.91 . . . . 0.0 113.355 178.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.252 0 C-N-CA 126.444 1.898 . . . . 0.0 109.242 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.296 -1.761 0 O-C-N 125.036 1.46 . . . . 0.0 110.23 175.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.145 0 C-N-CA 127.06 2.144 . . . . 0.0 114.63 178.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 1.989 0 CA-C-O 117.096 -1.947 . . . . 0.0 112.347 178.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-N 118.127 0.963 . . . . 0.0 108.537 179.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 176.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.961 0 C-N-CA 123.873 0.869 . . . . 0.0 112.832 -179.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.256 1.442 0 N-CA-C 114.948 1.462 . . . . 0.0 114.948 -175.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.09 0 C-N-CA 125.039 1.335 . . . . 0.0 108.087 175.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 177.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.939 0 CA-C-N 114.257 -1.338 . . . . 0.0 110.075 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 115.984 -1.96 . . . . 0.0 112.31 178.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.579 0 C-N-CA 126.856 2.063 . . . . 0.0 116.541 -174.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.602 0 CA-C-O 122.754 1.264 . . . . 0.0 112.296 -178.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.448 -1.181 0 C-N-CA 122.366 2.044 . . . . 0.0 115.095 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 177.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.446 0 N-CA-C 115.166 1.543 . . . . 0.0 115.166 178.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.117 0 O-C-N 118.318 -2.739 . . . . 0.0 114.626 -179.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.253 1.268 0 N-CA-C 115.93 1.826 . . . . 0.0 115.93 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.068 0 CA-C-N 120.28 1.136 . . . . 0.0 114.889 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.302 1.041 . . . . 0.0 112.0 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 O-C-N 125.088 1.493 . . . . 0.0 111.467 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.255 1.344 0 N-CA-C 116.912 2.19 . . . . 0.0 116.912 179.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 127.651 2.38 . . . . 0.0 115.62 -178.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.246 0.896 0 N-CA-C 117.082 2.253 . . . . 0.0 117.082 -178.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.482 -2.013 0 CA-C-O 115.678 -2.734 . . . . 0.0 118.834 177.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.946 0 CA-C-N 124.168 3.984 . . . . 0.0 111.395 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-O 115.636 -2.126 . . . . 0.0 106.233 177.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.511 0 O-C-N 125.531 1.769 . . . . 0.0 107.663 -179.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.491 0 O-C-N 125.783 1.927 . . . . 0.0 111.463 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-O 122.08 0.943 . . . . 0.0 110.723 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.066 0 N-CA-C 106.74 -1.578 . . . . 0.0 106.74 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 1.985 0 O-C-N 126.021 2.076 . . . . 0.0 116.18 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.262 1.757 0 CA-C-O 117.943 -1.027 . . . . 0.0 112.617 -178.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 2.001 0 N-CA-C 107.771 -2.131 . . . . 0.0 107.771 -178.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 125.328 2.49 . . . . 0.0 112.716 -177.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.865 0 CA-C-N 110.9 -2.864 . . . . 0.0 110.408 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -0.985 0 O-C-N 126.349 2.281 . . . . 0.0 105.438 176.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.404 0 N-CA-C 117.802 2.519 . . . . 0.0 117.802 -176.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 178.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 103.868 -2.641 . . . . 0.0 103.868 177.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 CA-C-N 111.993 -2.367 . . . . 0.0 108.059 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.304 0 N-CA-C 118.563 2.185 . . . . 0.0 118.563 -178.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.707 0 O-C-N 121.48 -1.012 . . . . 0.0 112.221 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.606 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -177.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.865 0 CA-C-O 124.202 1.954 . . . . 0.0 110.087 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.247 0.925 0 CA-C-N 113.448 -1.706 . . . . 0.0 108.353 -178.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 C--N 1.318 -0.443 0 CA-C-N 114.061 -1.427 . . . . 0.0 110.193 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 124.823 0.955 . . . . 0.0 110.033 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 1.008 0 CA-C-N 114.342 -1.299 . . . . 0.0 109.38 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.484 1.271 0 O-C-N 124.561 1.163 . . . . 0.0 110.21 178.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 CA--C 1.501 -0.832 0 N-CA-C 119.095 2.398 . . . . 0.0 119.095 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.848 0 O-C-N 120.891 -1.358 . . . . 0.0 109.1 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 107.068 -1.456 . . . . 0.0 107.068 178.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.264 1.864 0 O-C-N 125.701 1.875 . . . . 0.0 110.262 179.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.34 0.59 . . . . 0.0 111.879 -179.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 115.737 -2.078 . . . . 0.0 108.792 -177.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.263 2.852 . . . . 0.0 110.388 178.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 117.665 -1.159 . . . . 0.0 109.622 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 O-C-N 128.187 3.43 . . . . 0.0 112.823 -177.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.262 0 O-C-N 125.121 1.513 . . . . 0.0 111.764 -178.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 123.872 0.869 . . . . 0.0 110.206 178.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.942 0 N-CA-C 118.03 2.604 . . . . 0.0 118.03 175.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.311 -1.077 0 C-N-CA 124.11 0.964 . . . . 0.0 109.086 177.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 127.453 2.971 . . . . 0.0 111.374 -177.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.378 0 C-N-CA 129.948 3.299 . . . . 0.0 108.971 178.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.966 0 O-C-N 126.804 2.565 . . . . 0.0 113.778 -178.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 115.261 1.578 . . . . 0.0 115.261 -178.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 124.726 1.266 . . . . 0.0 109.932 178.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.406 0 C-N-CA 123.968 0.907 . . . . 0.0 109.207 179.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.315 -0.898 0 C-N-CA 123.496 0.718 . . . . 0.0 112.731 -178.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-O 117.035 -1.46 . . . . 0.0 111.025 -177.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 CA-C-O 116.787 -1.577 . . . . 0.0 110.724 -176.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.176 0 CA-C-N 119.551 1.068 . . . . 0.0 112.81 -178.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 124.956 1.302 . . . . 0.0 111.685 -178.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 125.033 1.458 . . . . 0.0 108.283 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 126.52 2.387 . . . . 0.0 111.627 -178.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.249 1.034 0 C-N-CA 120.216 -0.593 . . . . 0.0 110.485 177.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 -177.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 125.651 1.58 . . . . 0.0 111.269 177.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.466 0.692 0 O-C-N 121.314 -0.866 . . . . 0.0 114.21 -179.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 119.8 -1.812 . . . . 0.0 109.664 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 116.352 1.982 . . . . 0.0 116.352 -176.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 125.27 1.606 . . . . 0.0 110.303 -176.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 112.534 -2.121 . . . . 0.0 108.32 175.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 N-CA-C 104.531 -2.396 . . . . 0.0 104.531 178.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 125.401 1.688 . . . . 0.0 108.31 -177.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.302 -1.32 0 O-C-N 125.926 2.016 . . . . 0.0 110.959 -175.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.425 0 O-C-N 126.25 2.71 . . . . 0.0 115.087 -176.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.257 1.49 0 O-C-N 120.423 -1.423 . . . . 0.0 113.834 177.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.356 0 N-CA-C 115.617 1.71 . . . . 0.0 115.617 -176.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.264 1.83 0 CA-C-O 115.095 -2.383 . . . . 0.0 112.744 -178.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.647 0 CA-C-N 120.935 1.698 . . . . 0.0 114.816 -178.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.311 -1.072 0 C-N-CA 127.109 2.163 . . . . 0.0 111.164 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 O-C-N 126.206 2.191 . . . . 0.0 110.44 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 125.36 1.464 . . . . 0.0 107.062 177.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.729 0 C-N-CA 126.579 1.952 . . . . 0.0 112.599 179.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.145 0 CA-C-N 113.185 -1.825 . . . . 0.0 111.456 -177.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.148 0 C-N-CA 123.828 0.851 . . . . 0.0 113.196 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 N-CA-C 104.117 -2.549 . . . . 0.0 104.117 177.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 104.833 -2.284 . . . . 0.0 104.833 178.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 128.459 3.599 . . . . 0.0 116.957 -175.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.323 0 N-CA-C 105.329 -3.108 . . . . 0.0 105.329 177.078 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.273 2.313 0 O-C-N 128.487 3.11 . . . . 0.0 106.504 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.82 0 C-N-CA 118.914 -1.115 . . . . 0.0 112.678 -177.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.765 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 177.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.837 0 CA-C-O 122.458 1.123 . . . . 0.0 108.059 176.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.304 0 C-N-CA 121.486 1.458 . . . . 0.0 111.879 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 177.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 105.32 -2.104 . . . . 0.0 105.32 177.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 122.812 1.291 . . . . 0.0 110.121 -176.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.191 0 CA-C-N 112.649 -2.069 . . . . 0.0 112.723 178.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.23 0 CA-C-N 118.214 1.007 . . . . 0.0 110.752 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.453 -0.895 0 O-C-N 123.486 1.256 . . . . 0.0 111.615 177.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 103.139 -2.911 . . . . 0.0 103.139 178.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.306 -1.313 0 O-C-N 126.868 2.605 . . . . 0.0 112.233 -178.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.44 -1.64 0 N-CA-C 107.55 -1.75 . . . . 0.0 107.55 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.29 -1.981 0 O-C-N 128.162 3.414 . . . . 0.0 103.042 179.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.975 0 CA-C-O 116.006 -1.949 . . . . 0.0 108.836 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.806 0 N-CA-C 104.054 -3.619 . . . . 0.0 104.054 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.531 0 CA-C-O 115.677 -2.106 . . . . 0.0 109.487 -178.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.569 1.708 0 N-CA-C 103.685 -2.709 . . . . 0.0 103.685 -178.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.077 0 O-C-N 127.712 3.132 . . . . 0.0 113.535 -178.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 106.38 -1.711 . . . . 0.0 106.38 -177.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.501 2.972 0 O-C-N 126.281 2.238 . . . . 0.0 107.614 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 118.927 -2.513 . . . . 0.0 110.271 -177.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--N 1.305 -1.336 0 N-CA-C 100.618 -3.845 . . . . 0.0 100.618 -172.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.445 -1.341 0 CA-C-O 115.185 -2.089 . . . . 0.0 112.062 178.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.841 0 CA-C-N 120.71 1.596 . . . . 0.0 109.543 177.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.274 2.393 0 CA-C-N 112.839 -1.982 . . . . 0.0 110.576 178.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.432 -1.343 0 O-C-N 120.951 -1.093 . . . . 0.0 110.435 178.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.556 1.194 0 O-C-N 125.818 1.949 . . . . 0.0 110.26 -178.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.067 0 O-C-N 127.079 2.737 . . . . 0.0 107.058 178.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.618 0 CA-C-O 122.204 1.002 . . . . 0.0 112.908 177.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.898 0 O-C-N 117.469 -3.269 . . . . 0.0 114.586 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.571 1.777 0 O-C-N 125.638 1.836 . . . . 0.0 108.161 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.568 1 O-C-N 129.196 4.06 . . . . 0.0 109.734 179.225 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 120.032 -1.668 . . . . 0.0 111.857 179.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 125.078 1.351 . . . . 0.0 112.742 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.29 -2.006 0 C-N-CA 128.024 2.726 . . . . 0.0 114.326 -177.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.273 2.318 0 C-N-CA 128.251 2.62 . . . . 0.0 111.524 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 C-N-CA 117.612 -1.635 . . . . 0.0 107.38 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.095 0 CA-C-O 117.283 -1.341 . . . . 0.0 109.034 -179.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.319 0 C-N-CA 122.868 2.378 . . . . 0.0 111.784 178.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.022 0 O-C-N 118.668 -2.52 . . . . 0.0 115.678 -178.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.313 -1.007 0 C-N-CA 126.649 1.98 . . . . 0.0 110.903 178.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.958 0 C-N-CA 123.417 2.745 . . . . 0.0 115.47 178.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.71 0 CA-C-N 121.326 1.875 . . . . 0.0 113.453 178.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 124.981 1.312 . . . . 0.0 108.018 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.843 0 C-N-CA 119.055 -1.058 . . . . 0.0 109.748 179.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.54 -0.725 . . . . 0.0 109.272 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 114.24 -1.345 . . . . 0.0 109.718 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-N 119.608 1.095 . . . . 0.0 111.959 -177.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 117.058 -1.448 . . . . 0.0 111.861 -178.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 115.023 1.49 . . . . 0.0 115.023 -178.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.459 0 CA-C-N 114.548 -1.205 . . . . 0.0 109.17 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-O 124.883 2.278 . . . . 0.0 109.461 178.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.024 0 CA-C-N 112.71 -2.041 . . . . 0.0 111.316 178.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-N 121.091 1.769 . . . . 0.0 112.769 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.322 0 CA-C-O 118.435 -0.793 . . . . 0.0 112.29 -176.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 O-C-N 124.091 0.869 . . . . 0.0 109.075 -179.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-O 115.204 -2.331 . . . . 0.0 110.87 -178.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.213 0 O-C-N 127.585 3.053 . . . . 0.0 111.013 178.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.769 0 C-N-CA 127.378 2.271 . . . . 0.0 113.765 -177.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 126.04 2.088 . . . . 0.0 112.171 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.253 1.321 0 CA-C-N 121.286 1.857 . . . . 0.0 114.818 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.578 0 C-N-CA 124.836 1.254 . . . . 0.0 111.43 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 178.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 178.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 O-C-N 124.788 1.305 . . . . 0.0 110.036 -178.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 113.646 -1.615 . . . . 0.0 111.048 178.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 127.122 2.169 . . . . 0.0 112.529 -178.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 113.708 -1.587 . . . . 0.0 112.002 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.241 0.647 0 CA-C-O 116.776 -1.583 . . . . 0.0 111.654 -178.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 126.493 2.371 . . . . 0.0 107.55 178.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.437 -1.078 0 C-N-CA 126.367 1.867 . . . . 0.0 113.181 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.078 -0.965 . . . . 0.0 109.628 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.308 -1.203 0 O-C-N 124.448 1.093 . . . . 0.0 108.239 178.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.141 179.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.545 0 N-CA-C 115.907 1.817 . . . . 0.0 115.907 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 O-C-N 124.534 1.146 . . . . 0.0 111.108 -177.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.309 -1.158 0 O-C-N 125.512 1.758 . . . . 0.0 111.356 -178.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.032 0 C-N-CA 127.269 2.228 . . . . 0.0 107.44 179.171 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 500' ' ' MXT . . . . . 0.77 H231 ' O11' ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 600' ' ' MXT . . . . . 0.753 H231 ' O12' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.516 ' HB3' H122 ' A' ' 500' ' ' MXT . 20.3 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.3 0 O-C-N 125.664 1.852 . . . . 0.0 106.874 169.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.767 1 O-C-N 129.191 4.258 . . . . 0.0 107.997 -175.469 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.939 0 CA-C-N 121.069 1.758 . . . . 0.0 112.612 -178.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.502 2.161 0 CA-C-N 114.281 -1.327 . . . . 0.0 110.902 -177.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.179 0 C-N-CA 126.965 2.106 . . . . 0.0 110.233 -177.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.256 1.445 0 O-C-N 120.864 -1.147 . . . . 0.0 109.782 179.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.604 0 N-CA-C 105.945 -1.872 . . . . 0.0 105.945 -177.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 127.154 2.784 . . . . 0.0 107.838 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.782 0 CA-C-O 115.442 -2.218 . . . . 0.0 106.398 178.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 C--N 1.277 -2.547 1 O-C-N 130.671 4.982 . . . . 0.0 106.263 178.454 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.166 0 CA-C-O 113.75 -3.024 . . . . 0.0 105.843 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-N 121.089 1.768 . . . . 0.0 110.027 -177.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 125.924 2.015 . . . . 0.0 105.826 -176.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.254 1.339 0 O-C-N 127.517 3.011 . . . . 0.0 112.758 -176.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.961 0 O-C-N 127.222 2.826 . . . . 0.0 112.276 177.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 122.152 2.251 . . . . 0.0 111.963 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--O 1.225 -0.223 0 O-C-N 126.571 2.419 . . . . 0.0 109.719 -174.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.73 0 C-N-CA 124.652 3.568 . . . . 0.0 111.956 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.869 0 CA-C-N 111.756 -2.474 . . . . 0.0 106.739 179.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.264 0 O-C-N 127.519 3.379 . . . . 0.0 107.914 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.538 0 CA-C-O 116.11 -1.704 . . . . 0.0 108.36 178.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.61 0 O-C-N 127.065 2.728 . . . . 0.0 112.175 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.995 0 C-N-CA 126.769 2.028 . . . . 0.0 114.95 -174.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.57 1.726 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 175.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.3 0 O-C-N 124.929 1.393 . . . . 0.0 113.629 -175.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.429 0 CA-C-O 117.391 -1.29 . . . . 0.0 112.765 -179.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.315 0 CA-C-N 121.772 2.078 . . . . 0.0 114.976 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.311 -1.444 0 C-N-CA 122.2 1.933 . . . . 0.0 113.341 178.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.87 0 C-N-CA 129.756 3.222 . . . . 0.0 112.271 178.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.048 0 O-C-N 119.42 -2.05 . . . . 0.0 109.49 177.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.329 0 CA-C-O 115.587 -2.149 . . . . 0.0 109.255 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 127.434 2.959 . . . . 0.0 109.392 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.253 1.243 0 O-C-N 120.279 -1.513 . . . . 0.0 112.866 177.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 122.083 0.944 . . . . 0.0 113.367 179.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.245 0 C-N-CA 126.446 1.899 . . . . 0.0 109.242 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.785 0 O-C-N 125.128 1.518 . . . . 0.0 110.232 175.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.162 0 C-N-CA 127.063 2.145 . . . . 0.0 114.622 178.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.014 0 CA-C-O 117.147 -1.918 . . . . 0.0 112.373 178.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.42 0 CA-C-N 118.11 0.955 . . . . 0.0 108.502 179.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 176.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.953 0 C-N-CA 123.948 0.899 . . . . 0.0 112.862 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.473 0 N-CA-C 114.986 1.476 . . . . 0.0 114.986 -175.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.31 -1.128 0 C-N-CA 125.056 1.342 . . . . 0.0 108.141 175.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 177.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.952 0 CA-C-N 114.327 -1.306 . . . . 0.0 110.054 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-O 115.962 -1.97 . . . . 0.0 112.32 178.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.577 0 C-N-CA 126.904 2.082 . . . . 0.0 116.556 -174.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.591 0 CA-C-O 122.734 1.254 . . . . 0.0 112.277 -178.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 122.355 2.037 . . . . 0.0 115.084 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 177.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.415 0 N-CA-C 115.187 1.551 . . . . 0.0 115.187 178.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.106 0 O-C-N 118.37 -2.707 . . . . 0.0 114.623 -179.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.325 0 N-CA-C 116.012 1.856 . . . . 0.0 116.012 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.049 0 CA-C-N 120.267 1.131 . . . . 0.0 114.906 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.288 1.035 . . . . 0.0 112.026 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 O-C-N 125.09 1.494 . . . . 0.0 111.464 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.255 1.346 0 N-CA-C 116.934 2.198 . . . . 0.0 116.934 179.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 127.673 2.389 . . . . 0.0 115.513 -178.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.85 0 N-CA-C 117.098 2.259 . . . . 0.0 117.098 -178.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.482 -2.031 0 CA-C-O 115.709 -2.717 . . . . 0.0 118.851 177.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.954 0 CA-C-N 124.161 3.981 . . . . 0.0 111.363 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-O 115.624 -2.131 . . . . 0.0 106.28 177.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.302 -1.483 0 O-C-N 125.524 1.765 . . . . 0.0 107.649 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.491 0 O-C-N 125.811 1.945 . . . . 0.0 111.506 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-O 122.048 0.927 . . . . 0.0 110.728 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.054 0 N-CA-C 106.746 -1.576 . . . . 0.0 106.746 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 1.993 0 O-C-N 126.01 2.068 . . . . 0.0 116.185 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.79 0 CA-C-O 117.884 -1.055 . . . . 0.0 112.578 -178.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 1.977 0 N-CA-C 107.803 -2.119 . . . . 0.0 107.803 -178.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 125.395 2.521 . . . . 0.0 112.655 -177.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.867 0 CA-C-N 110.889 -2.869 . . . . 0.0 110.417 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.314 -0.966 0 O-C-N 126.341 2.276 . . . . 0.0 105.409 176.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.365 0 N-CA-C 117.74 2.496 . . . . 0.0 117.74 -176.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 178.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 103.865 -2.643 . . . . 0.0 103.865 177.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 CA-C-N 111.981 -2.372 . . . . 0.0 108.017 -179.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.298 0 N-CA-C 118.579 2.192 . . . . 0.0 118.579 -178.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.7 0 O-C-N 121.458 -1.025 . . . . 0.0 112.207 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.673 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 -177.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.861 0 CA-C-O 124.233 1.968 . . . . 0.0 110.033 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.245 0.864 0 CA-C-N 113.438 -1.71 . . . . 0.0 108.398 -178.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 C--N 1.318 -0.424 0 CA-C-N 114.041 -1.436 . . . . 0.0 110.239 179.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 124.822 0.954 . . . . 0.0 110.014 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.997 0 CA-C-N 114.417 -1.265 . . . . 0.0 109.348 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.484 1.231 0 O-C-N 124.561 1.163 . . . . 0.0 110.229 178.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 CA--C 1.501 -0.828 0 N-CA-C 119.058 2.383 . . . . 0.0 119.058 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.212 -0.869 0 O-C-N 120.84 -1.388 . . . . 0.0 109.105 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 107.068 -1.456 . . . . 0.0 107.068 178.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.914 0 O-C-N 125.668 1.855 . . . . 0.0 110.252 179.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.279 0.562 . . . . 0.0 111.867 -179.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 115.802 -2.047 . . . . 0.0 108.806 -177.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.293 -1.869 0 O-C-N 127.205 2.816 . . . . 0.0 110.337 178.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-O 117.611 -1.185 . . . . 0.0 109.589 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 O-C-N 128.16 3.413 . . . . 0.0 112.84 -177.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.276 0 O-C-N 125.098 1.499 . . . . 0.0 111.676 -178.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 123.906 0.882 . . . . 0.0 110.235 178.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 118.032 2.605 . . . . 0.0 118.032 175.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.054 0 C-N-CA 124.093 0.957 . . . . 0.0 109.076 177.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 127.447 2.967 . . . . 0.0 111.318 -177.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 129.95 3.3 . . . . 0.0 109.001 178.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.922 0 O-C-N 126.751 2.532 . . . . 0.0 113.746 -178.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 115.23 1.567 . . . . 0.0 115.23 -178.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 124.728 1.267 . . . . 0.0 109.949 178.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 124.051 0.94 . . . . 0.0 109.208 179.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.883 0 C-N-CA 123.492 0.717 . . . . 0.0 112.741 -178.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-O 117.031 -1.461 . . . . 0.0 110.982 -177.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.64 0 CA-C-O 116.773 -1.584 . . . . 0.0 110.698 -176.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.136 0 CA-C-N 119.56 1.073 . . . . 0.0 112.846 -178.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 124.971 1.309 . . . . 0.0 111.693 -178.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 125.027 1.455 . . . . 0.0 108.325 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 126.568 2.418 . . . . 0.0 111.594 -178.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.008 0 C-N-CA 120.189 -0.604 . . . . 0.0 110.481 177.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 114.322 1.23 . . . . 0.0 114.322 -177.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.519 0 C-N-CA 125.634 1.573 . . . . 0.0 111.259 177.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 C--O 1.243 0.68 0 O-C-N 121.275 -0.891 . . . . 0.0 114.257 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.51 -0.596 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 119.817 -1.802 . . . . 0.0 109.673 -179.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.899 0 N-CA-C 116.317 1.969 . . . . 0.0 116.317 -176.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 125.308 1.63 . . . . 0.0 110.328 -176.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 112.556 -2.111 . . . . 0.0 108.282 176.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 N-CA-C 104.507 -2.405 . . . . 0.0 104.507 178.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 125.4 1.687 . . . . 0.0 108.268 -177.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 N--CA 1.475 1.26 0 O-C-N 125.886 1.991 . . . . 0.0 110.971 -175.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.466 0 O-C-N 126.311 2.743 . . . . 0.0 115.017 -176.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.525 0 O-C-N 120.418 -1.426 . . . . 0.0 113.821 177.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.256 1.397 0 N-CA-C 115.585 1.698 . . . . 0.0 115.585 -176.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.264 1.816 0 CA-C-O 115.062 -2.399 . . . . 0.0 112.752 -178.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.617 0 CA-C-N 120.923 1.692 . . . . 0.0 114.824 -177.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.311 -1.066 0 C-N-CA 127.034 2.134 . . . . 0.0 111.198 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 O-C-N 126.252 2.22 . . . . 0.0 110.435 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 125.384 1.474 . . . . 0.0 107.032 177.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.746 0 C-N-CA 126.597 1.959 . . . . 0.0 112.551 179.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.159 0 CA-C-N 113.191 -1.822 . . . . 0.0 111.41 -177.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.309 -1.159 0 C-N-CA 123.777 0.831 . . . . 0.0 113.185 -179.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 104.135 -2.542 . . . . 0.0 104.135 177.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 104.854 -2.276 . . . . 0.0 104.854 178.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 128.483 3.614 . . . . 0.0 116.989 -175.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.584 4.36 0 N-CA-C 105.305 -3.118 . . . . 0.0 105.305 177.098 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.37 0 O-C-N 128.493 3.114 . . . . 0.0 106.53 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.244 0.795 0 C-N-CA 118.949 -1.1 . . . . 0.0 112.687 -177.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.763 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 177.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.244 0.805 0 CA-C-O 122.436 1.112 . . . . 0.0 108.133 176.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.266 0 C-N-CA 121.484 1.456 . . . . 0.0 111.888 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.978 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 176.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 105.329 -2.1 . . . . 0.0 105.329 177.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 122.786 1.279 . . . . 0.0 110.111 -176.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.25 1.131 0 CA-C-N 112.655 -2.066 . . . . 0.0 112.739 179.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.211 0 CA-C-N 118.161 0.98 . . . . 0.0 110.71 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.453 -0.882 0 O-C-N 123.529 1.278 . . . . 0.0 111.64 176.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 103.141 -2.911 . . . . 0.0 103.141 178.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.306 -1.31 0 O-C-N 126.894 2.621 . . . . 0.0 112.242 -178.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.713 0 N-CA-C 107.578 -1.739 . . . . 0.0 107.578 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.954 0 O-C-N 128.163 3.414 . . . . 0.0 102.98 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.99 0 CA-C-O 115.982 -1.961 . . . . 0.0 108.827 179.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.544 1.876 0 N-CA-C 104.069 -3.612 . . . . 0.0 104.069 -178.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.507 0 CA-C-O 115.689 -2.101 . . . . 0.0 109.492 -177.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.569 1.705 0 N-CA-C 103.681 -2.711 . . . . 0.0 103.681 -179.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.074 0 O-C-N 127.694 3.121 . . . . 0.0 113.549 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 106.372 -1.714 . . . . 0.0 106.372 -177.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.501 2.986 0 O-C-N 126.227 2.205 . . . . 0.0 107.593 -179.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.222 -2.34 . . . . 0.0 110.271 -177.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.332 0 O-C-N 116.464 -3.897 . . . . 0.0 100.595 177.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.308 0 CA-C-O 115.213 -2.078 . . . . 0.0 112.041 -178.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.829 0 CA-C-N 120.769 1.622 . . . . 0.0 109.552 177.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.435 0 CA-C-N 112.824 -1.989 . . . . 0.0 110.624 178.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.291 0 O-C-N 120.905 -1.122 . . . . 0.0 110.434 178.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.162 0 O-C-N 125.862 1.976 . . . . 0.0 110.232 -178.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.102 0 O-C-N 127.018 2.698 . . . . 0.0 107.039 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.484 -1.579 0 CA-C-O 122.159 0.98 . . . . 0.0 112.942 177.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.442 -0.86 0 O-C-N 117.532 -3.23 . . . . 0.0 114.567 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.571 1.784 0 O-C-N 125.626 1.829 . . . . 0.0 108.178 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.299 -1.594 1 O-C-N 129.23 4.081 . . . . 0.0 109.772 179.161 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 120.065 -1.647 . . . . 0.0 111.853 179.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.504 0 C-N-CA 125.091 1.356 . . . . 0.0 112.775 178.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.028 0 C-N-CA 128.011 2.72 . . . . 0.0 114.31 -179.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.273 2.301 0 C-N-CA 128.345 2.658 . . . . 0.0 111.472 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 C-N-CA 117.617 -1.633 . . . . 0.0 107.36 178.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.103 0 CA-C-O 117.245 -1.36 . . . . 0.0 108.974 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.323 0 C-N-CA 122.869 2.38 . . . . 0.0 111.762 178.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.014 0 O-C-N 118.645 -2.534 . . . . 0.0 115.706 -177.348 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.032 0 C-N-CA 126.645 1.978 . . . . 0.0 110.915 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.925 0 C-N-CA 123.353 2.702 . . . . 0.0 115.496 -178.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 121.325 1.875 . . . . 0.0 113.443 177.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 124.966 1.307 . . . . 0.0 108.03 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.246 0.883 0 C-N-CA 119.018 -1.073 . . . . 0.0 109.739 179.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.601 -0.687 . . . . 0.0 109.341 179.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 114.235 -1.348 . . . . 0.0 109.749 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-N 119.551 1.069 . . . . 0.0 111.929 -177.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-O 117.113 -1.422 . . . . 0.0 111.857 -178.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 115.027 1.491 . . . . 0.0 115.027 -178.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.492 0 CA-C-N 114.59 -1.186 . . . . 0.0 109.182 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-O 124.907 2.289 . . . . 0.0 109.423 178.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.497 -1.062 0 CA-C-N 112.67 -2.059 . . . . 0.0 111.324 178.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-N 121.16 1.8 . . . . 0.0 112.763 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.325 0 CA-C-O 118.446 -0.787 . . . . 0.0 112.291 -176.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 O-C-N 124.102 0.876 . . . . 0.0 109.092 -179.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-O 115.215 -2.326 . . . . 0.0 110.86 -178.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.209 0 O-C-N 127.598 3.061 . . . . 0.0 111.022 179.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.768 0 C-N-CA 127.376 2.27 . . . . 0.0 113.788 -177.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 125.999 2.062 . . . . 0.0 112.163 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.253 1.338 0 CA-C-N 121.363 1.892 . . . . 0.0 114.789 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.573 0 C-N-CA 124.794 1.238 . . . . 0.0 111.389 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 107.125 -1.435 . . . . 0.0 107.125 178.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.237 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 178.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 O-C-N 124.855 1.347 . . . . 0.0 110.043 -178.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.36 0 CA-C-N 113.641 -1.618 . . . . 0.0 111.046 178.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.3 -1.558 0 C-N-CA 127.139 2.176 . . . . 0.0 112.5 -178.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 113.714 -1.585 . . . . 0.0 111.943 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.674 0 CA-C-O 116.756 -1.592 . . . . 0.0 111.684 -178.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 126.519 2.387 . . . . 0.0 107.527 178.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.049 0 C-N-CA 126.412 1.885 . . . . 0.0 113.202 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.637 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.192 0 O-C-N 124.449 1.093 . . . . 0.0 108.227 178.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-O 116.553 -1.689 . . . . 0.0 112.098 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.535 0 N-CA-C 115.869 1.803 . . . . 0.0 115.869 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 O-C-N 124.47 1.106 . . . . 0.0 111.092 -177.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.149 0 O-C-N 125.413 1.696 . . . . 0.0 111.38 -178.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.045 0 C-N-CA 127.305 2.242 . . . . 0.0 107.42 179.132 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 500' ' ' MXT . . . . . 0.88 H231 ' O11' ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 600' ' ' MXT . . . . . 0.558 ' O11' H231 ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.403 ' C ' H262 ' A' ' 500' ' ' MXT . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.827 ' C ' H121 ' A' ' 500' ' ' MXT . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 1.198 ' N ' H122 ' A' ' 500' ' ' MXT . 18.7 m -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 1.112 ' N ' H121 ' A' ' 500' ' ' MXT . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.304 0 O-C-N 125.664 1.852 . . . . 0.0 106.857 167.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.748 1 O-C-N 129.159 4.241 . . . . 0.0 107.956 -174.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.941 0 CA-C-N 121.03 1.741 . . . . 0.0 112.654 -177.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.212 0 CA-C-N 114.255 -1.338 . . . . 0.0 110.903 -177.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.18 0 C-N-CA 126.949 2.099 . . . . 0.0 110.206 -177.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.458 0 O-C-N 120.899 -1.126 . . . . 0.0 109.831 178.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.573 0 N-CA-C 105.923 -1.88 . . . . 0.0 105.923 -177.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 127.156 2.785 . . . . 0.0 107.842 178.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.572 1.801 0 CA-C-O 115.376 -2.249 . . . . 0.0 106.472 179.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 C--N 1.277 -2.563 1 O-C-N 130.756 5.035 . . . . 0.0 106.327 176.142 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.124 0 CA-C-O 113.77 -3.014 . . . . 0.0 105.851 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.452 0 CA-C-N 121.153 1.797 . . . . 0.0 110.023 -177.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 125.901 2.0 . . . . 0.0 105.783 -176.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.356 0 O-C-N 127.482 2.989 . . . . 0.0 112.782 -176.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.267 2.016 0 O-C-N 127.213 2.82 . . . . 0.0 112.241 177.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 122.186 2.266 . . . . 0.0 111.933 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--O 1.224 -0.252 0 O-C-N 126.625 2.453 . . . . 0.0 109.71 -174.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.732 0 C-N-CA 124.643 3.562 . . . . 0.0 111.984 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.828 0 CA-C-N 111.709 -2.496 . . . . 0.0 106.753 179.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.313 -1.291 0 O-C-N 127.525 3.382 . . . . 0.0 107.913 178.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.524 0 C-N-CA 121.839 1.692 . . . . 0.0 108.281 178.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.579 0 O-C-N 127.075 2.734 . . . . 0.0 112.141 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.291 -1.967 0 C-N-CA 126.782 2.033 . . . . 0.0 114.9 -174.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.693 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 175.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.289 0 O-C-N 124.878 1.362 . . . . 0.0 113.676 -175.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.446 0 CA-C-O 117.412 -1.28 . . . . 0.0 112.763 -179.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.253 1.271 0 CA-C-N 121.766 2.076 . . . . 0.0 114.948 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.161 1.907 . . . . 0.0 113.34 178.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.907 0 C-N-CA 129.763 3.225 . . . . 0.0 112.288 178.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.056 0 O-C-N 119.418 -2.051 . . . . 0.0 109.518 177.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.559 1.317 0 CA-C-O 115.645 -2.122 . . . . 0.0 109.272 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 127.341 2.901 . . . . 0.0 109.343 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.253 1.253 0 O-C-N 120.332 -1.48 . . . . 0.0 112.893 177.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-O 122.025 0.917 . . . . 0.0 113.315 179.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.252 0 C-N-CA 126.508 1.923 . . . . 0.0 109.251 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 125.067 1.479 . . . . 0.0 110.254 175.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.172 0 C-N-CA 127.069 2.148 . . . . 0.0 114.602 178.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.002 0 CA-C-O 117.087 -1.952 . . . . 0.0 112.369 178.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 118.149 0.975 . . . . 0.0 108.498 179.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 176.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.958 0 C-N-CA 123.926 0.89 . . . . 0.0 112.824 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.485 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 -175.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.093 0 C-N-CA 125.058 1.343 . . . . 0.0 108.114 175.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 177.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.933 0 CA-C-N 114.33 -1.305 . . . . 0.0 110.103 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-O 116.052 -1.928 . . . . 0.0 112.362 178.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.278 -2.542 0 C-N-CA 126.87 2.068 . . . . 0.0 116.554 -174.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.581 0 CA-C-O 122.717 1.246 . . . . 0.0 112.279 -178.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 122.4 2.066 . . . . 0.0 115.116 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 177.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.414 0 N-CA-C 115.193 1.553 . . . . 0.0 115.193 178.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.497 -1.095 0 O-C-N 118.297 -2.752 . . . . 0.0 114.643 -179.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.327 0 N-CA-C 115.943 1.831 . . . . 0.0 115.943 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.06 0 CA-C-N 120.261 1.129 . . . . 0.0 114.889 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.294 1.038 . . . . 0.0 112.01 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 O-C-N 125.129 1.518 . . . . 0.0 111.484 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.319 0 N-CA-C 116.904 2.187 . . . . 0.0 116.904 179.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 127.659 2.384 . . . . 0.0 115.578 -178.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.246 0.897 0 N-CA-C 117.133 2.271 . . . . 0.0 117.133 -178.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.066 0 CA-C-O 115.663 -2.743 . . . . 0.0 118.839 177.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.29 -1.974 1 CA-C-N 124.217 4.008 . . . . 0.0 111.358 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.483 1.201 0 CA-C-O 115.675 -2.107 . . . . 0.0 106.245 177.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.302 -1.484 0 O-C-N 125.492 1.745 . . . . 0.0 107.618 -178.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.256 1.442 0 O-C-N 125.805 1.941 . . . . 0.0 111.476 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-O 122.104 0.954 . . . . 0.0 110.697 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.056 0 N-CA-C 106.744 -1.576 . . . . 0.0 106.744 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 1.987 0 O-C-N 126.014 2.072 . . . . 0.0 116.231 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.791 0 CA-C-O 117.895 -1.05 . . . . 0.0 112.58 -178.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 2.015 0 N-CA-C 107.797 -2.121 . . . . 0.0 107.797 -178.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 125.34 2.495 . . . . 0.0 112.658 -177.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.846 0 CA-C-N 110.915 -2.857 . . . . 0.0 110.429 179.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -1.0 0 O-C-N 126.409 2.318 . . . . 0.0 105.357 176.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.407 0 N-CA-C 117.811 2.522 . . . . 0.0 117.811 -176.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 178.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 103.82 -2.659 . . . . 0.0 103.82 177.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 CA-C-N 112.028 -2.351 . . . . 0.0 108.022 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.254 1.355 0 N-CA-C 118.516 2.166 . . . . 0.0 118.516 -178.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.678 0 O-C-N 121.483 -1.01 . . . . 0.0 112.226 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.623 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -177.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-O 124.259 1.98 . . . . 0.0 110.038 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.245 0.851 0 CA-C-N 113.443 -1.708 . . . . 0.0 108.381 -178.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 C--O 1.239 0.446 0 CA-C-N 114.048 -1.433 . . . . 0.0 110.177 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 124.798 0.94 . . . . 0.0 110.042 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.247 0.96 0 CA-C-N 114.359 -1.291 . . . . 0.0 109.36 179.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.221 0 O-C-N 124.587 1.179 . . . . 0.0 110.201 178.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.833 0 N-CA-C 119.069 2.388 . . . . 0.0 119.069 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.214 -0.815 0 O-C-N 120.876 -1.367 . . . . 0.0 109.098 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.308 0 N-CA-C 107.063 -1.458 . . . . 0.0 107.063 178.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.904 0 O-C-N 125.665 1.853 . . . . 0.0 110.279 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.332 0.587 . . . . 0.0 111.878 -179.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 115.733 -2.08 . . . . 0.0 108.834 -177.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.293 -1.888 0 O-C-N 127.274 2.859 . . . . 0.0 110.396 178.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 117.688 -1.149 . . . . 0.0 109.585 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 O-C-N 128.11 3.381 . . . . 0.0 112.835 -177.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.287 0 O-C-N 125.171 1.544 . . . . 0.0 111.669 -178.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 123.89 0.876 . . . . 0.0 110.207 178.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.961 0 N-CA-C 118.046 2.61 . . . . 0.0 118.046 175.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.311 -1.071 0 C-N-CA 124.029 0.932 . . . . 0.0 109.123 177.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 127.366 2.916 . . . . 0.0 111.393 -177.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.385 0 C-N-CA 130.005 3.322 . . . . 0.0 109.009 178.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.246 0.917 0 O-C-N 126.802 2.564 . . . . 0.0 113.744 -178.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 115.246 1.573 . . . . 0.0 115.246 -178.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 124.791 1.307 . . . . 0.0 109.962 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 124.019 0.927 . . . . 0.0 109.21 179.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.887 0 C-N-CA 123.503 0.721 . . . . 0.0 112.701 -178.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-O 116.997 -1.478 . . . . 0.0 110.98 -177.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.62 0 CA-C-O 116.812 -1.566 . . . . 0.0 110.671 -176.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.175 0 CA-C-N 119.555 1.071 . . . . 0.0 112.844 -178.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 124.909 1.284 . . . . 0.0 111.721 -178.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 124.997 1.436 . . . . 0.0 108.239 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 126.576 2.422 . . . . 0.0 111.627 -178.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.014 0 C-N-CA 120.151 -0.62 . . . . 0.0 110.525 177.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 -177.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.524 0 C-N-CA 125.691 1.597 . . . . 0.0 111.232 177.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 C--O 1.243 0.678 0 O-C-N 121.315 -0.865 . . . . 0.0 114.275 -179.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.615 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 119.803 -1.81 . . . . 0.0 109.669 -179.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 116.351 1.982 . . . . 0.0 116.351 -176.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 125.254 1.596 . . . . 0.0 110.29 -176.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 112.518 -2.128 . . . . 0.0 108.343 176.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 N-CA-C 104.503 -2.406 . . . . 0.0 104.503 178.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 125.39 1.681 . . . . 0.0 108.227 -177.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.304 -1.233 0 O-C-N 125.844 1.965 . . . . 0.0 110.97 -175.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.47 0 O-C-N 126.315 2.745 . . . . 0.0 115.063 -176.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.55 0 O-C-N 120.378 -1.451 . . . . 0.0 113.81 177.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.37 0 N-CA-C 115.607 1.706 . . . . 0.0 115.607 -176.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--N 1.294 -1.815 0 CA-C-O 115.068 -2.396 . . . . 0.0 112.844 -178.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.649 0 CA-C-N 120.9 1.682 . . . . 0.0 114.885 -178.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.052 0 C-N-CA 127.012 2.125 . . . . 0.0 111.231 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 O-C-N 126.255 2.222 . . . . 0.0 110.475 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 125.383 1.473 . . . . 0.0 107.06 177.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.752 0 C-N-CA 126.54 1.936 . . . . 0.0 112.596 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.252 1.201 0 CA-C-N 113.23 -1.804 . . . . 0.0 111.429 -177.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.309 -1.189 0 C-N-CA 123.855 0.862 . . . . 0.0 113.139 -179.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 104.19 -2.522 . . . . 0.0 104.19 177.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 104.846 -2.279 . . . . 0.0 104.846 178.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 128.56 3.662 . . . . 0.0 117.003 -175.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.584 4.366 0 N-CA-C 105.343 -3.103 . . . . 0.0 105.343 177.04 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.273 2.341 0 O-C-N 128.525 3.133 . . . . 0.0 106.513 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.836 0 C-N-CA 118.924 -1.111 . . . . 0.0 112.727 -177.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 177.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.817 0 CA-C-O 122.46 1.124 . . . . 0.0 108.079 176.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.447 -1.264 0 C-N-CA 121.441 1.428 . . . . 0.0 111.893 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 177.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 105.35 -2.093 . . . . 0.0 105.35 177.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 122.809 1.29 . . . . 0.0 110.089 -176.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.25 1.152 0 CA-C-N 112.673 -2.058 . . . . 0.0 112.799 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.228 0 CA-C-N 118.139 0.97 . . . . 0.0 110.763 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.918 0 O-C-N 123.52 1.274 . . . . 0.0 111.608 177.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.553 1.071 0 N-CA-C 103.127 -2.916 . . . . 0.0 103.127 178.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.336 0 O-C-N 126.909 2.63 . . . . 0.0 112.234 -178.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.714 0 N-CA-C 107.542 -1.753 . . . . 0.0 107.542 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.968 0 O-C-N 128.096 3.373 . . . . 0.0 102.983 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.994 0 CA-C-O 116.007 -1.949 . . . . 0.0 108.843 178.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.803 0 N-CA-C 104.107 -3.597 . . . . 0.0 104.107 179.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.523 0 CA-C-O 115.695 -2.097 . . . . 0.0 109.475 -177.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.716 0 N-CA-C 103.71 -2.7 . . . . 0.0 103.71 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.074 0 O-C-N 127.753 3.158 . . . . 0.0 113.506 -178.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 106.337 -1.727 . . . . 0.0 106.337 -177.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.501 2.974 0 O-C-N 126.342 2.276 . . . . 0.0 107.605 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 118.941 -2.505 . . . . 0.0 110.271 -177.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.311 0 N-CA-C 100.652 -3.832 . . . . 0.0 100.652 -175.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.445 -1.339 0 CA-C-O 115.277 -2.051 . . . . 0.0 112.091 178.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.272 -2.804 0 CA-C-N 120.7 1.591 . . . . 0.0 109.588 177.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.41 0 CA-C-N 112.87 -1.968 . . . . 0.0 110.614 178.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.29 0 O-C-N 120.94 -1.1 . . . . 0.0 110.432 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.166 0 O-C-N 125.761 1.913 . . . . 0.0 110.272 -178.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.101 0 O-C-N 127.068 2.73 . . . . 0.0 107.03 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.598 0 CA-C-O 122.207 1.003 . . . . 0.0 112.935 177.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.89 0 O-C-N 117.467 -3.27 . . . . 0.0 114.568 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.793 0 O-C-N 125.56 1.787 . . . . 0.0 108.146 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.577 1 O-C-N 129.228 4.08 . . . . 0.0 109.786 179.176 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 120.061 -1.649 . . . . 0.0 111.871 179.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.51 0 C-N-CA 125.103 1.361 . . . . 0.0 112.766 178.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.036 0 C-N-CA 128.019 2.723 . . . . 0.0 114.309 -179.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.276 0 C-N-CA 128.259 2.623 . . . . 0.0 111.52 -178.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 C-N-CA 117.561 -1.656 . . . . 0.0 107.401 179.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.104 0 CA-C-O 117.312 -1.327 . . . . 0.0 108.987 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.314 -1.287 0 C-N-CA 122.891 2.394 . . . . 0.0 111.74 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.021 0 O-C-N 118.682 -2.511 . . . . 0.0 115.713 -179.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.041 0 C-N-CA 126.61 1.964 . . . . 0.0 110.908 177.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.949 0 C-N-CA 123.419 2.746 . . . . 0.0 115.523 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-N 121.272 1.851 . . . . 0.0 113.477 177.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 124.948 1.299 . . . . 0.0 108.037 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.246 0.889 0 C-N-CA 119.078 -1.049 . . . . 0.0 109.763 179.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.557 -0.714 . . . . 0.0 109.319 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 C--O 1.244 0.765 0 CA-C-N 114.246 -1.343 . . . . 0.0 109.745 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-N 119.595 1.089 . . . . 0.0 111.937 -178.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-O 117.071 -1.442 . . . . 0.0 111.845 -178.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 115.062 1.504 . . . . 0.0 115.062 -178.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.478 0 CA-C-N 114.594 -1.185 . . . . 0.0 109.156 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-O 124.927 2.298 . . . . 0.0 109.48 178.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.499 -1.008 0 CA-C-N 112.689 -2.05 . . . . 0.0 111.268 178.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.745 0 CA-C-N 121.131 1.787 . . . . 0.0 112.741 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.302 0 CA-C-O 118.442 -0.79 . . . . 0.0 112.301 -176.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 O-C-N 124.044 0.84 . . . . 0.0 109.133 -179.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-O 115.194 -2.336 . . . . 0.0 110.871 -178.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.202 0 O-C-N 127.575 3.047 . . . . 0.0 111.046 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.778 0 C-N-CA 127.397 2.279 . . . . 0.0 113.742 -177.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 126.022 2.076 . . . . 0.0 112.212 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.255 1.435 0 CA-C-N 121.286 1.857 . . . . 0.0 114.781 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.591 0 C-N-CA 124.801 1.241 . . . . 0.0 111.432 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 107.146 -1.428 . . . . 0.0 107.146 178.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.226 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 178.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.94 0 O-C-N 124.831 1.332 . . . . 0.0 110.028 -178.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-N 113.672 -1.604 . . . . 0.0 111.045 178.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 127.166 2.186 . . . . 0.0 112.517 -178.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 113.732 -1.576 . . . . 0.0 111.972 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-O 116.776 -1.583 . . . . 0.0 111.696 -178.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 126.52 2.388 . . . . 0.0 107.516 178.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 C--N 1.312 -1.042 0 C-N-CA 126.411 1.884 . . . . 0.0 113.153 179.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.114 -0.948 . . . . 0.0 109.628 -179.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.166 0 O-C-N 124.46 1.1 . . . . 0.0 108.228 178.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 116.55 -1.69 . . . . 0.0 112.106 179.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.506 0 N-CA-C 115.914 1.82 . . . . 0.0 115.914 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 O-C-N 124.494 1.121 . . . . 0.0 111.111 -177.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.119 0 O-C-N 125.477 1.735 . . . . 0.0 111.376 -178.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.069 0 C-N-CA 127.235 2.214 . . . . 0.0 107.438 179.135 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 500' ' ' MXT . . . . . 1.198 H122 ' N ' ' A' ' 41' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 600' ' ' MXT . . . . . 0.641 H231 ' O12' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.721 ' O ' ' O11' ' A' ' 500' ' ' MXT . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 1.227 ' CA ' H122 ' A' ' 500' ' ' MXT . 25.8 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.895 ' H ' H121 ' A' ' 500' ' ' MXT . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.323 0 O-C-N 125.664 1.852 . . . . 0.0 106.827 169.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.745 1 O-C-N 129.188 4.257 . . . . 0.0 107.939 -175.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.919 0 CA-C-N 121.02 1.737 . . . . 0.0 112.632 -178.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.188 0 CA-C-N 114.25 -1.341 . . . . 0.0 110.93 -178.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 C-N-CA 126.99 2.116 . . . . 0.0 110.227 -177.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.256 1.44 0 O-C-N 120.889 -1.132 . . . . 0.0 109.826 179.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.597 0 N-CA-C 105.94 -1.874 . . . . 0.0 105.94 -177.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 127.177 2.798 . . . . 0.0 107.869 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.57 1.748 0 CA-C-O 115.505 -2.188 . . . . 0.0 106.424 178.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.538 1 O-C-N 130.639 4.962 . . . . 0.0 106.346 177.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.146 0 CA-C-O 113.745 -3.026 . . . . 0.0 105.869 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-N 121.144 1.793 . . . . 0.0 110.042 -177.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.785 0 O-C-N 125.877 1.985 . . . . 0.0 105.787 -176.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.254 1.33 0 O-C-N 127.512 3.008 . . . . 0.0 112.736 -176.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.955 0 O-C-N 127.23 2.831 . . . . 0.0 112.206 177.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 122.163 2.256 . . . . 0.0 111.924 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--O 1.225 -0.204 0 O-C-N 126.651 2.47 . . . . 0.0 109.711 -174.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.736 0 C-N-CA 124.635 3.556 . . . . 0.0 111.928 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.477 0.876 0 CA-C-N 111.729 -2.487 . . . . 0.0 106.725 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.315 -1.236 0 O-C-N 127.466 3.35 . . . . 0.0 107.873 178.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.519 0 CA-C-O 116.16 -1.683 . . . . 0.0 108.31 178.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.596 0 O-C-N 127.078 2.736 . . . . 0.0 112.143 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.983 0 C-N-CA 126.717 2.007 . . . . 0.0 114.904 -174.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.57 1.739 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 175.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 124.965 1.416 . . . . 0.0 113.634 -175.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.429 0 CA-C-O 117.427 -1.273 . . . . 0.0 112.759 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.255 1.347 0 CA-C-N 121.776 2.08 . . . . 0.0 114.924 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.309 -1.507 0 C-N-CA 122.21 1.94 . . . . 0.0 113.298 178.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.293 -1.877 0 C-N-CA 129.788 3.235 . . . . 0.0 112.262 178.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.051 0 O-C-N 119.445 -2.035 . . . . 0.0 109.493 177.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.334 0 CA-C-O 115.592 -2.147 . . . . 0.0 109.244 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 127.396 2.935 . . . . 0.0 109.424 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.253 1.261 0 O-C-N 120.263 -1.523 . . . . 0.0 112.895 177.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 122.033 0.921 . . . . 0.0 113.322 179.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.268 0 C-N-CA 126.531 1.932 . . . . 0.0 109.27 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 125.088 1.492 . . . . 0.0 110.274 175.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.271 2.187 0 C-N-CA 127.066 2.146 . . . . 0.0 114.59 178.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.031 0 CA-C-O 117.068 -1.962 . . . . 0.0 112.339 178.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-N 118.177 0.988 . . . . 0.0 108.482 179.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 107.243 -1.392 . . . . 0.0 107.243 176.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.924 0 C-N-CA 123.917 0.887 . . . . 0.0 112.828 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.481 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 -175.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.073 0 C-N-CA 125.06 1.344 . . . . 0.0 108.08 175.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 177.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.967 0 CA-C-N 114.273 -1.331 . . . . 0.0 110.113 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-O 115.997 -1.954 . . . . 0.0 112.326 178.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.561 0 N-CA-C 116.609 2.077 . . . . 0.0 116.609 -174.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.599 0 CA-C-O 122.7 1.238 . . . . 0.0 112.304 -178.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 122.355 2.037 . . . . 0.0 115.148 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 177.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.431 0 N-CA-C 115.189 1.552 . . . . 0.0 115.189 178.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.104 0 O-C-N 118.342 -2.724 . . . . 0.0 114.618 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.299 0 N-CA-C 115.941 1.83 . . . . 0.0 115.941 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.043 0 CA-C-N 120.338 1.156 . . . . 0.0 114.818 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.28 1.032 . . . . 0.0 112.038 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 O-C-N 125.095 1.497 . . . . 0.0 111.506 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.334 0 N-CA-C 116.918 2.192 . . . . 0.0 116.918 179.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 127.668 2.387 . . . . 0.0 115.583 -178.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.863 0 N-CA-C 117.102 2.26 . . . . 0.0 117.102 -178.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.482 -2.006 0 CA-C-O 115.638 -2.757 . . . . 0.0 118.846 177.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.29 -1.994 0 CA-C-N 124.192 3.996 . . . . 0.0 111.374 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-O 115.631 -2.128 . . . . 0.0 106.274 177.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.522 0 O-C-N 125.529 1.768 . . . . 0.0 107.648 -178.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.494 0 O-C-N 125.764 1.915 . . . . 0.0 111.521 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-O 122.106 0.955 . . . . 0.0 110.694 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.051 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.266 1.974 0 O-C-N 126.034 2.084 . . . . 0.0 116.175 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.783 0 CA-C-O 117.927 -1.035 . . . . 0.0 112.576 -178.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 1.983 0 N-CA-C 107.791 -2.124 . . . . 0.0 107.791 -178.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 125.39 2.519 . . . . 0.0 112.667 -177.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.831 0 CA-C-N 110.858 -2.883 . . . . 0.0 110.444 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -1.002 0 O-C-N 126.385 2.303 . . . . 0.0 105.442 176.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.383 0 N-CA-C 117.799 2.518 . . . . 0.0 117.799 -176.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 178.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 103.832 -2.655 . . . . 0.0 103.832 177.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 CA-C-N 111.986 -2.37 . . . . 0.0 108.02 -179.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.283 0 N-CA-C 118.598 2.199 . . . . 0.0 118.598 -178.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.706 0 O-C-N 121.462 -1.022 . . . . 0.0 112.245 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.647 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -177.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.831 0 CA-C-O 124.265 1.983 . . . . 0.0 110.022 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.912 0 CA-C-N 113.412 -1.722 . . . . 0.0 108.382 -178.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.463 0.457 0 CA-C-N 114.043 -1.435 . . . . 0.0 110.208 179.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 124.859 0.976 . . . . 0.0 110.044 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.987 0 CA-C-N 114.33 -1.305 . . . . 0.0 109.372 179.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.194 0 O-C-N 124.572 1.17 . . . . 0.0 110.215 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 CA--C 1.501 -0.828 0 N-CA-C 119.059 2.383 . . . . 0.0 119.059 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.214 -0.813 0 O-C-N 120.835 -1.391 . . . . 0.0 109.083 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 178.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.266 1.923 0 O-C-N 125.674 1.859 . . . . 0.0 110.239 179.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.312 0.577 . . . . 0.0 111.897 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 115.791 -2.052 . . . . 0.0 108.833 -177.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.293 -1.871 0 O-C-N 127.205 2.816 . . . . 0.0 110.374 178.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 117.658 -1.163 . . . . 0.0 109.55 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 O-C-N 128.154 3.409 . . . . 0.0 112.824 -177.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.267 0 O-C-N 125.086 1.491 . . . . 0.0 111.719 -178.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 123.92 0.888 . . . . 0.0 110.184 178.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.944 0 N-CA-C 118.037 2.606 . . . . 0.0 118.037 175.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.028 0 C-N-CA 124.062 0.945 . . . . 0.0 109.089 177.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 127.361 2.913 . . . . 0.0 111.387 -177.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.396 0 C-N-CA 129.995 3.318 . . . . 0.0 108.969 178.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.246 0.902 0 O-C-N 126.752 2.533 . . . . 0.0 113.787 -178.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 115.309 1.596 . . . . 0.0 115.309 -178.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 124.681 1.238 . . . . 0.0 109.974 178.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.391 0 C-N-CA 124.015 0.926 . . . . 0.0 109.199 179.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.315 -0.895 0 C-N-CA 123.475 0.71 . . . . 0.0 112.69 -178.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-O 116.985 -1.483 . . . . 0.0 110.995 -177.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 CA-C-O 116.751 -1.595 . . . . 0.0 110.676 -176.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.148 0 CA-C-N 119.56 1.073 . . . . 0.0 112.84 -178.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 124.943 1.297 . . . . 0.0 111.674 -178.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 124.984 1.427 . . . . 0.0 108.321 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 126.555 2.409 . . . . 0.0 111.639 -178.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.021 0 C-N-CA 120.154 -0.619 . . . . 0.0 110.553 177.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -177.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.504 0 C-N-CA 125.654 1.581 . . . . 0.0 111.305 177.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 C--O 1.242 0.652 0 O-C-N 121.274 -0.891 . . . . 0.0 114.291 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.608 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 119.815 -1.803 . . . . 0.0 109.629 -179.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 116.335 1.976 . . . . 0.0 116.335 -176.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 125.266 1.604 . . . . 0.0 110.326 -176.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 112.543 -2.117 . . . . 0.0 108.306 176.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 N-CA-C 104.503 -2.406 . . . . 0.0 104.503 178.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 125.409 1.693 . . . . 0.0 108.273 -177.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.276 0 O-C-N 125.892 1.995 . . . . 0.0 110.961 -175.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.448 0 O-C-N 126.319 2.747 . . . . 0.0 115.079 -176.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.543 0 O-C-N 120.385 -1.447 . . . . 0.0 113.815 177.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.256 1.407 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 -176.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--N 1.295 -1.794 0 CA-C-O 115.124 -2.37 . . . . 0.0 112.77 -178.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.636 0 CA-C-N 120.911 1.687 . . . . 0.0 114.861 -178.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.311 -1.083 0 C-N-CA 127.041 2.137 . . . . 0.0 111.174 -179.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 O-C-N 126.235 2.21 . . . . 0.0 110.465 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 125.345 1.458 . . . . 0.0 107.081 177.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.74 0 C-N-CA 126.536 1.934 . . . . 0.0 112.6 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.161 0 CA-C-N 113.248 -1.797 . . . . 0.0 111.449 -177.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.309 -1.161 0 C-N-CA 123.826 0.851 . . . . 0.0 113.127 -179.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 104.165 -2.532 . . . . 0.0 104.165 177.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 104.819 -2.289 . . . . 0.0 104.819 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 128.468 3.605 . . . . 0.0 116.968 -175.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.584 4.347 0 N-CA-C 105.27 -3.132 . . . . 0.0 105.27 177.106 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.273 2.306 0 O-C-N 128.482 3.107 . . . . 0.0 106.536 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.82 0 C-N-CA 118.914 -1.114 . . . . 0.0 112.697 -177.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.756 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 177.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.244 0.787 0 CA-C-O 122.531 1.158 . . . . 0.0 108.04 176.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.312 0 C-N-CA 121.459 1.439 . . . . 0.0 111.875 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 177.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 105.374 -2.084 . . . . 0.0 105.374 177.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 122.806 1.289 . . . . 0.0 110.158 -176.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.159 0 CA-C-N 112.65 -2.068 . . . . 0.0 112.775 178.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.223 0 CA-C-N 118.16 0.98 . . . . 0.0 110.761 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.451 -0.979 0 O-C-N 123.463 1.244 . . . . 0.0 111.699 177.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 103.16 -2.904 . . . . 0.0 103.16 178.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.348 0 O-C-N 126.869 2.606 . . . . 0.0 112.228 -178.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.705 0 N-CA-C 107.593 -1.734 . . . . 0.0 107.593 -179.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.939 0 O-C-N 128.085 3.366 . . . . 0.0 103.024 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.266 1.963 0 CA-C-O 115.997 -1.954 . . . . 0.0 108.822 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.544 1.852 0 N-CA-C 104.121 -3.592 . . . . 0.0 104.121 -179.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.526 0 CA-C-O 115.671 -2.109 . . . . 0.0 109.465 -177.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.732 0 N-CA-C 103.658 -2.719 . . . . 0.0 103.658 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.498 -1.055 0 O-C-N 127.744 3.153 . . . . 0.0 113.551 -178.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 -178.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.501 2.973 0 O-C-N 126.279 2.237 . . . . 0.0 107.647 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.23 -2.335 . . . . 0.0 110.271 -177.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.311 0 N-CA-C 100.629 -3.841 . . . . 0.0 100.629 -176.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.323 0 CA-C-O 115.268 -2.055 . . . . 0.0 112.125 178.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.272 -2.78 0 CA-C-N 120.692 1.587 . . . . 0.0 109.6 177.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.274 2.387 0 CA-C-N 112.859 -1.973 . . . . 0.0 110.634 178.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.432 -1.34 0 O-C-N 120.928 -1.107 . . . . 0.0 110.429 178.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.163 0 O-C-N 125.833 1.958 . . . . 0.0 110.234 -178.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.287 -2.115 0 O-C-N 127.023 2.702 . . . . 0.0 107.028 178.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.629 0 CA-C-O 122.279 1.038 . . . . 0.0 112.937 177.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.901 0 O-C-N 117.414 -3.304 . . . . 0.0 114.576 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.571 1.777 0 O-C-N 125.651 1.844 . . . . 0.0 108.187 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.299 -1.59 1 O-C-N 129.216 4.072 . . . . 0.0 109.752 179.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 120.027 -1.671 . . . . 0.0 111.797 179.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.3 -1.551 0 C-N-CA 125.11 1.364 . . . . 0.0 112.758 178.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.046 0 C-N-CA 127.976 2.703 . . . . 0.0 114.306 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.258 0 C-N-CA 128.259 2.624 . . . . 0.0 111.454 -178.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 C-N-CA 117.605 -1.638 . . . . 0.0 107.365 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.094 0 CA-C-O 117.288 -1.339 . . . . 0.0 109.029 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.326 0 C-N-CA 122.897 2.398 . . . . 0.0 111.768 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.249 1.037 0 O-C-N 118.639 -2.538 . . . . 0.0 115.723 -177.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.058 0 C-N-CA 126.658 1.983 . . . . 0.0 110.88 -178.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.938 0 C-N-CA 123.45 2.767 . . . . 0.0 115.514 175.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-N 121.262 1.846 . . . . 0.0 113.466 178.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 124.973 1.309 . . . . 0.0 107.994 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.838 0 C-N-CA 119.106 -1.038 . . . . 0.0 109.702 179.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.559 -0.713 . . . . 0.0 109.313 179.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 114.245 -1.343 . . . . 0.0 109.71 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 119.607 1.094 . . . . 0.0 111.943 -177.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-O 117.056 -1.449 . . . . 0.0 111.913 -178.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 115.072 1.508 . . . . 0.0 115.072 -178.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.467 0 CA-C-N 114.543 -1.208 . . . . 0.0 109.165 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-O 124.863 2.268 . . . . 0.0 109.461 178.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.499 -1.015 0 CA-C-N 112.676 -2.057 . . . . 0.0 111.316 178.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.733 0 CA-C-N 121.089 1.768 . . . . 0.0 112.749 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.294 0 CA-C-O 118.507 -0.758 . . . . 0.0 112.33 -176.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 O-C-N 124.029 0.831 . . . . 0.0 109.097 -179.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-O 115.243 -2.313 . . . . 0.0 110.916 -178.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.204 0 O-C-N 127.565 3.041 . . . . 0.0 111.038 178.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.767 0 C-N-CA 127.38 2.272 . . . . 0.0 113.758 -177.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 125.96 2.038 . . . . 0.0 112.173 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.351 0 CA-C-N 121.337 1.88 . . . . 0.0 114.851 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.26 1.611 0 C-N-CA 124.769 1.228 . . . . 0.0 111.413 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 107.189 -1.412 . . . . 0.0 107.189 178.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 178.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 O-C-N 124.832 1.333 . . . . 0.0 110.044 -178.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 113.623 -1.626 . . . . 0.0 111.003 178.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 127.159 2.184 . . . . 0.0 112.507 -178.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 113.676 -1.602 . . . . 0.0 111.978 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-O 116.724 -1.607 . . . . 0.0 111.642 -178.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 126.528 2.392 . . . . 0.0 107.597 178.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.057 0 C-N-CA 126.351 1.861 . . . . 0.0 113.174 179.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.665 -179.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.161 0 O-C-N 124.458 1.099 . . . . 0.0 108.213 178.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 116.567 -1.682 . . . . 0.0 112.072 179.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.516 0 N-CA-C 115.922 1.823 . . . . 0.0 115.922 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 O-C-N 124.489 1.118 . . . . 0.0 111.137 -177.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.134 0 O-C-N 125.475 1.734 . . . . 0.0 111.356 -178.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.069 0 C-N-CA 127.235 2.214 . . . . 0.0 107.45 179.092 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 500' ' ' MXT . . . . . 1.227 H122 ' CA ' ' A' ' 41' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 600' ' ' MXT . . . . . 0.852 H231 ' O11' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.61 ' HA ' H121 ' A' ' 500' ' ' MXT . 27.8 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.722 ' H ' H121 ' A' ' 500' ' ' MXT . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.506 2.327 0 O-C-N 125.664 1.852 . . . . 0.0 106.847 167.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.75 1 O-C-N 129.21 4.268 . . . . 0.0 107.977 -170.481 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.917 0 CA-C-N 121.001 1.728 . . . . 0.0 112.646 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.502 2.172 0 CA-C-N 114.264 -1.335 . . . . 0.0 110.938 178.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.213 0 C-N-CA 126.994 2.118 . . . . 0.0 110.276 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.256 1.429 0 O-C-N 120.871 -1.143 . . . . 0.0 109.86 -174.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.585 0 N-CA-C 105.929 -1.878 . . . . 0.0 105.929 -178.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 127.126 2.766 . . . . 0.0 107.844 -178.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.776 0 CA-C-O 115.485 -2.198 . . . . 0.0 106.403 -178.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.527 1 O-C-N 130.642 4.963 . . . . 0.0 106.303 177.533 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.148 0 CA-C-O 113.741 -3.028 . . . . 0.0 105.891 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.487 1.422 0 CA-C-N 121.167 1.803 . . . . 0.0 110.048 -177.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 125.885 1.991 . . . . 0.0 105.812 -176.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.254 1.334 0 O-C-N 127.477 2.986 . . . . 0.0 112.812 -176.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.94 0 O-C-N 127.221 2.826 . . . . 0.0 112.271 177.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.921 0 O-C-N 119.076 -2.265 . . . . 0.0 111.897 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.332 -0.178 0 O-C-N 126.649 2.468 . . . . 0.0 109.692 -174.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--O 1.242 0.681 0 C-N-CA 124.659 3.573 . . . . 0.0 111.94 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.832 0 CA-C-N 111.743 -2.48 . . . . 0.0 106.758 179.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.249 0 O-C-N 127.53 3.384 . . . . 0.0 107.924 179.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.523 0 O-C-N 124.302 1.686 . . . . 0.0 108.317 178.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.622 0 O-C-N 127.043 2.714 . . . . 0.0 112.192 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -2.017 0 C-N-CA 126.766 2.026 . . . . 0.0 114.913 -174.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.568 1.668 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 175.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 124.907 1.38 . . . . 0.0 113.637 -175.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.257 1.465 0 CA-C-O 117.404 -1.284 . . . . 0.0 112.734 -179.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.253 1.281 0 CA-C-N 121.779 2.081 . . . . 0.0 114.988 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.454 0 C-N-CA 122.148 1.899 . . . . 0.0 113.311 178.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.292 -1.901 0 C-N-CA 129.82 3.248 . . . . 0.0 112.271 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.313 -1.017 0 O-C-N 119.404 -2.06 . . . . 0.0 109.532 177.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.348 0 CA-C-O 115.571 -2.157 . . . . 0.0 109.23 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 127.389 2.931 . . . . 0.0 109.395 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.253 1.275 0 O-C-N 120.273 -1.517 . . . . 0.0 112.846 177.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-O 122.057 0.932 . . . . 0.0 113.345 179.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.252 0 C-N-CA 126.505 1.922 . . . . 0.0 109.252 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 125.11 1.506 . . . . 0.0 110.228 175.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.167 0 C-N-CA 127.125 2.17 . . . . 0.0 114.586 178.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.547 2.059 0 CA-C-O 117.082 -1.955 . . . . 0.0 112.37 178.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-N 118.098 0.949 . . . . 0.0 108.502 179.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 175.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.943 0 C-N-CA 123.977 0.911 . . . . 0.0 112.839 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.258 1.507 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 -175.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.31 -1.114 0 C-N-CA 125.028 1.331 . . . . 0.0 108.07 175.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.869 0 O-C-N 124.517 1.136 . . . . 0.0 107.946 177.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.964 0 CA-C-N 114.303 -1.317 . . . . 0.0 110.156 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-O 115.974 -1.965 . . . . 0.0 112.302 178.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.585 0 N-CA-C 116.588 2.07 . . . . 0.0 116.588 -174.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.592 0 CA-C-O 122.784 1.278 . . . . 0.0 112.256 -178.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.448 -1.206 0 C-N-CA 122.399 2.066 . . . . 0.0 115.091 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 177.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.429 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 178.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.497 -1.088 0 O-C-N 118.333 -2.73 . . . . 0.0 114.662 -179.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.331 0 N-CA-C 115.961 1.838 . . . . 0.0 115.961 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.039 0 CA-C-N 120.299 1.143 . . . . 0.0 114.877 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.315 1.046 . . . . 0.0 112.053 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 O-C-N 125.093 1.495 . . . . 0.0 111.511 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.335 0 N-CA-C 116.913 2.19 . . . . 0.0 116.913 179.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 127.669 2.387 . . . . 0.0 115.555 -178.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.84 0 N-CA-C 117.122 2.267 . . . . 0.0 117.122 -178.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.07 0 CA-C-O 115.663 -2.743 . . . . 0.0 118.831 177.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.29 -1.991 1 CA-C-N 124.204 4.002 . . . . 0.0 111.382 179.711 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-O 115.635 -2.126 . . . . 0.0 106.276 177.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.302 -1.499 0 O-C-N 125.534 1.771 . . . . 0.0 107.635 -178.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.456 0 O-C-N 125.783 1.927 . . . . 0.0 111.475 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-O 122.078 0.942 . . . . 0.0 110.7 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.055 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.266 1.96 0 O-C-N 126.078 2.111 . . . . 0.0 116.215 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.262 1.762 0 CA-C-O 117.945 -1.026 . . . . 0.0 112.596 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 1.998 0 N-CA-C 107.799 -2.121 . . . . 0.0 107.799 -178.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 125.377 2.513 . . . . 0.0 112.634 -177.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-N 110.893 -2.867 . . . . 0.0 110.423 179.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -0.999 0 O-C-N 126.386 2.304 . . . . 0.0 105.458 176.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.39 0 N-CA-C 117.805 2.52 . . . . 0.0 117.805 -176.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.306 -1.319 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 178.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 103.84 -2.652 . . . . 0.0 103.84 177.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 CA-C-N 112.074 -2.33 . . . . 0.0 108.02 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.343 0 N-CA-C 118.562 2.185 . . . . 0.0 118.562 -178.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.679 0 CA-C-N 118.204 1.002 . . . . 0.0 112.224 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.649 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -177.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.495 1.824 0 CA-C-O 124.243 1.973 . . . . 0.0 110.062 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-N 113.423 -1.717 . . . . 0.0 108.365 -178.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.463 0.471 0 CA-C-N 114.032 -1.44 . . . . 0.0 110.179 179.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 124.797 0.939 . . . . 0.0 110.042 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.998 0 CA-C-N 114.368 -1.287 . . . . 0.0 109.312 179.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.191 0 O-C-N 124.508 1.13 . . . . 0.0 110.197 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 CA--C 1.501 -0.814 0 N-CA-C 119.054 2.382 . . . . 0.0 119.054 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.214 -0.793 0 O-C-N 120.87 -1.371 . . . . 0.0 109.057 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.302 0 N-CA-C 107.115 -1.439 . . . . 0.0 107.115 178.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.266 1.923 0 O-C-N 125.672 1.857 . . . . 0.0 110.232 179.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.341 0.591 . . . . 0.0 111.872 -179.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 115.734 -2.079 . . . . 0.0 108.804 -177.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.922 0 O-C-N 127.255 2.847 . . . . 0.0 110.365 178.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 117.704 -1.141 . . . . 0.0 109.562 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 O-C-N 128.119 3.387 . . . . 0.0 112.84 -177.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.278 0 O-C-N 125.093 1.496 . . . . 0.0 111.7 -178.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 123.88 0.872 . . . . 0.0 110.183 178.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 118.023 2.601 . . . . 0.0 118.023 175.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.036 0 C-N-CA 124.105 0.962 . . . . 0.0 109.11 177.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 127.467 2.98 . . . . 0.0 111.352 -177.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 130.032 3.333 . . . . 0.0 108.937 178.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.938 0 O-C-N 126.739 2.524 . . . . 0.0 113.788 -178.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 115.281 1.586 . . . . 0.0 115.281 -178.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 124.758 1.286 . . . . 0.0 109.964 178.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.41 0 C-N-CA 123.984 0.914 . . . . 0.0 109.15 179.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.877 0 C-N-CA 123.48 0.712 . . . . 0.0 112.688 -178.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.221 0 CA-C-O 117.015 -1.469 . . . . 0.0 111.007 -177.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.662 0 CA-C-O 116.791 -1.576 . . . . 0.0 110.669 -176.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.153 0 CA-C-N 119.557 1.071 . . . . 0.0 112.863 -178.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 124.931 1.292 . . . . 0.0 111.681 -178.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 125.058 1.473 . . . . 0.0 108.307 -179.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 126.571 2.419 . . . . 0.0 111.618 -178.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.018 0 C-N-CA 120.171 -0.612 . . . . 0.0 110.495 177.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 114.333 1.234 . . . . 0.0 114.333 -177.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 125.623 1.569 . . . . 0.0 111.228 177.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.466 0.639 0 O-C-N 121.31 -0.869 . . . . 0.0 114.256 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.621 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.663 0 O-C-N 119.814 -1.803 . . . . 0.0 109.695 -179.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 116.338 1.977 . . . . 0.0 116.338 -176.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 125.303 1.627 . . . . 0.0 110.298 -176.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 112.53 -2.123 . . . . 0.0 108.281 176.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 N-CA-C 104.535 -2.394 . . . . 0.0 104.535 178.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 125.416 1.697 . . . . 0.0 108.274 -177.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.302 -1.318 0 O-C-N 125.924 2.015 . . . . 0.0 110.995 -175.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.425 0 O-C-N 126.298 2.736 . . . . 0.0 115.04 -176.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.533 0 O-C-N 120.435 -1.416 . . . . 0.0 113.802 177.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.256 1.399 0 N-CA-C 115.586 1.698 . . . . 0.0 115.586 -176.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.263 1.814 0 CA-C-O 115.146 -2.359 . . . . 0.0 112.829 -178.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.611 0 CA-C-N 120.897 1.681 . . . . 0.0 114.884 -178.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 127.01 2.124 . . . . 0.0 111.201 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 O-C-N 126.273 2.233 . . . . 0.0 110.42 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 125.385 1.474 . . . . 0.0 107.023 177.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.739 0 C-N-CA 126.566 1.947 . . . . 0.0 112.606 179.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.151 0 CA-C-N 113.182 -1.826 . . . . 0.0 111.49 -177.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.142 0 C-N-CA 123.829 0.852 . . . . 0.0 113.147 -179.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 104.171 -2.529 . . . . 0.0 104.171 177.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 104.797 -2.297 . . . . 0.0 104.797 178.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 128.522 3.639 . . . . 0.0 117.009 -175.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.338 0 N-CA-C 105.33 -3.108 . . . . 0.0 105.33 177.08 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.273 2.324 0 O-C-N 128.543 3.143 . . . . 0.0 106.457 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.244 0.787 0 C-N-CA 118.906 -1.118 . . . . 0.0 112.661 -177.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.748 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 177.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.244 0.816 0 CA-C-O 122.435 1.112 . . . . 0.0 108.077 176.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.283 0 C-N-CA 121.453 1.436 . . . . 0.0 111.875 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 176.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 105.37 -2.085 . . . . 0.0 105.37 177.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 122.774 1.273 . . . . 0.0 110.102 -176.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.175 0 CA-C-N 112.679 -2.055 . . . . 0.0 112.768 178.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.225 0 CA-C-N 118.157 0.979 . . . . 0.0 110.705 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 O-C-N 123.463 1.244 . . . . 0.0 111.646 177.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 103.161 -2.903 . . . . 0.0 103.161 178.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.306 -1.31 0 O-C-N 126.863 2.602 . . . . 0.0 112.222 -178.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.44 -1.641 0 N-CA-C 107.545 -1.752 . . . . 0.0 107.545 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.29 -1.986 0 O-C-N 128.106 3.379 . . . . 0.0 103.008 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.995 0 CA-C-O 115.996 -1.954 . . . . 0.0 108.792 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.833 0 N-CA-C 104.1 -3.6 . . . . 0.0 104.1 -178.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.257 1.499 0 CA-C-O 115.684 -2.103 . . . . 0.0 109.489 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.748 0 N-CA-C 103.71 -2.7 . . . . 0.0 103.71 -176.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.077 0 O-C-N 127.744 3.152 . . . . 0.0 113.538 -178.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 106.356 -1.72 . . . . 0.0 106.356 -177.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.955 0 O-C-N 126.277 2.236 . . . . 0.0 107.687 -179.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.222 -2.34 . . . . 0.0 110.271 -177.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.317 0 N-CA-C 100.677 -3.823 . . . . 0.0 100.677 -178.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.445 -1.327 0 CA-C-O 115.255 -2.061 . . . . 0.0 112.083 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.812 0 CA-C-N 120.706 1.594 . . . . 0.0 109.574 177.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.274 2.382 0 CA-C-N 112.842 -1.981 . . . . 0.0 110.619 178.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.297 0 O-C-N 120.973 -1.08 . . . . 0.0 110.422 178.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.163 0 O-C-N 125.863 1.977 . . . . 0.0 110.287 -178.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.089 0 O-C-N 127.037 2.711 . . . . 0.0 107.043 178.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.611 0 CA-C-O 122.202 1.001 . . . . 0.0 112.916 177.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.887 0 O-C-N 117.439 -3.288 . . . . 0.0 114.611 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.571 1.779 0 O-C-N 125.578 1.799 . . . . 0.0 108.175 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.299 -1.591 1 O-C-N 129.203 4.064 . . . . 0.0 109.784 179.185 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 120.007 -1.683 . . . . 0.0 111.849 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.536 0 C-N-CA 125.103 1.361 . . . . 0.0 112.763 178.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.041 0 C-N-CA 127.968 2.699 . . . . 0.0 114.277 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.273 2.306 0 C-N-CA 128.252 2.621 . . . . 0.0 111.472 -178.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 C-N-CA 117.603 -1.639 . . . . 0.0 107.431 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.287 -2.12 0 CA-C-O 117.291 -1.338 . . . . 0.0 109.004 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.311 0 C-N-CA 122.853 2.368 . . . . 0.0 111.756 177.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.249 1.033 0 O-C-N 118.634 -2.541 . . . . 0.0 115.674 -176.006 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.052 0 C-N-CA 126.637 1.975 . . . . 0.0 110.865 176.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.945 0 C-N-CA 123.407 2.738 . . . . 0.0 115.478 -179.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 121.264 1.847 . . . . 0.0 113.493 178.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 124.915 1.286 . . . . 0.0 108.04 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.844 0 C-N-CA 119.021 -1.072 . . . . 0.0 109.741 179.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.588 -0.695 . . . . 0.0 109.306 179.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 C--O 1.243 0.741 0 CA-C-N 114.273 -1.33 . . . . 0.0 109.742 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-N 119.552 1.069 . . . . 0.0 111.94 -177.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-O 117.108 -1.425 . . . . 0.0 111.85 -178.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 115.0 1.482 . . . . 0.0 115.0 -178.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.258 1.501 0 CA-C-N 114.592 -1.186 . . . . 0.0 109.149 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-O 124.872 2.273 . . . . 0.0 109.396 178.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.025 0 CA-C-N 112.723 -2.035 . . . . 0.0 111.292 178.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 121.14 1.791 . . . . 0.0 112.785 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.326 0 CA-C-O 118.441 -0.79 . . . . 0.0 112.266 -176.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 O-C-N 124.056 0.847 . . . . 0.0 109.102 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-O 115.196 -2.335 . . . . 0.0 110.908 -178.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.238 0 O-C-N 127.601 3.063 . . . . 0.0 111.014 178.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.294 -1.836 0 C-N-CA 127.406 2.282 . . . . 0.0 113.752 -177.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 126.0 2.062 . . . . 0.0 112.18 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.404 0 CA-C-N 121.359 1.89 . . . . 0.0 114.824 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.26 1.608 0 C-N-CA 124.805 1.242 . . . . 0.0 111.42 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 107.134 -1.432 . . . . 0.0 107.134 178.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 178.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.94 0 O-C-N 124.804 1.315 . . . . 0.0 110.058 -178.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 113.691 -1.595 . . . . 0.0 111.02 178.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 127.162 2.185 . . . . 0.0 112.552 -178.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 113.696 -1.593 . . . . 0.0 111.962 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-O 116.779 -1.582 . . . . 0.0 111.661 -178.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 126.488 2.368 . . . . 0.0 107.556 178.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.033 0 C-N-CA 126.413 1.885 . . . . 0.0 113.107 179.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 115.144 -0.935 . . . . 0.0 109.617 -179.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.182 0 O-C-N 124.45 1.094 . . . . 0.0 108.192 178.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 116.547 -1.692 . . . . 0.0 112.13 179.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.528 0 N-CA-C 115.887 1.81 . . . . 0.0 115.887 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 O-C-N 124.431 1.082 . . . . 0.0 111.099 -177.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.139 0 O-C-N 125.484 1.74 . . . . 0.0 111.338 -178.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.046 0 C-N-CA 127.25 2.22 . . . . 0.0 107.467 179.152 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 500' ' ' MXT . . . . . 0.857 ' O11' H231 ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 600' ' ' MXT . . . . . 0.719 H231 ' O12' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.692 ' C ' H111 ' A' ' 500' ' ' MXT . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 1.366 ' H ' ' C11' ' A' ' 500' ' ' MXT . 28.7 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.506 2.329 0 O-C-N 125.664 1.852 . . . . 0.0 106.823 169.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.745 1 O-C-N 129.183 4.254 . . . . 0.0 107.97 -175.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.893 0 CA-C-N 121.029 1.741 . . . . 0.0 112.625 -178.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.502 2.167 0 CA-C-N 114.212 -1.358 . . . . 0.0 110.939 -177.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.177 0 C-N-CA 126.979 2.112 . . . . 0.0 110.247 -177.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.256 1.431 0 O-C-N 120.926 -1.109 . . . . 0.0 109.818 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.591 0 N-CA-C 105.95 -1.87 . . . . 0.0 105.95 -177.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 127.162 2.789 . . . . 0.0 107.83 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.769 0 CA-C-O 115.408 -2.234 . . . . 0.0 106.483 178.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.511 2.59 1 O-C-N 130.713 5.008 . . . . 0.0 106.328 177.216 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.166 0 CA-C-O 113.726 -3.035 . . . . 0.0 105.852 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-N 121.101 1.773 . . . . 0.0 110.045 -177.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.798 0 O-C-N 125.883 1.989 . . . . 0.0 105.811 -176.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.358 0 O-C-N 127.505 3.003 . . . . 0.0 112.747 -176.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.971 0 O-C-N 127.216 2.823 . . . . 0.0 112.224 177.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 122.204 2.274 . . . . 0.0 111.878 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.331 -0.206 0 O-C-N 126.644 2.465 . . . . 0.0 109.707 -174.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.713 0 C-N-CA 124.64 3.56 . . . . 0.0 111.95 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.848 0 CA-C-N 111.741 -2.481 . . . . 0.0 106.736 179.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.239 0 O-C-N 127.532 3.385 . . . . 0.0 107.942 178.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.548 0 C-N-CA 121.843 1.696 . . . . 0.0 108.329 178.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.576 0 O-C-N 127.08 2.737 . . . . 0.0 112.152 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.988 0 C-N-CA 126.805 2.042 . . . . 0.0 114.96 -174.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.681 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 175.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 124.877 1.361 . . . . 0.0 113.655 -175.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.431 0 CA-C-O 117.402 -1.285 . . . . 0.0 112.739 -179.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.253 1.289 0 CA-C-N 121.785 2.084 . . . . 0.0 114.96 179.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.46 0 C-N-CA 122.157 1.905 . . . . 0.0 113.322 178.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.266 1.925 0 C-N-CA 129.81 3.244 . . . . 0.0 112.249 178.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.036 0 O-C-N 119.386 -2.071 . . . . 0.0 109.494 177.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.559 1.31 0 CA-C-O 115.564 -2.16 . . . . 0.0 109.278 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 127.4 2.938 . . . . 0.0 109.381 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.253 1.252 0 O-C-N 120.312 -1.493 . . . . 0.0 112.893 177.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 122.013 0.911 . . . . 0.0 113.328 179.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.265 0 C-N-CA 126.488 1.915 . . . . 0.0 109.242 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.778 0 O-C-N 125.169 1.543 . . . . 0.0 110.265 175.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.152 0 C-N-CA 127.047 2.139 . . . . 0.0 114.59 178.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 1.984 0 CA-C-O 117.11 -1.939 . . . . 0.0 112.35 178.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-N 118.129 0.964 . . . . 0.0 108.497 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 175.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.955 0 C-N-CA 123.913 0.885 . . . . 0.0 112.899 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.488 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 -175.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.098 0 C-N-CA 125.002 1.321 . . . . 0.0 108.086 175.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 177.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.935 0 CA-C-N 114.323 -1.308 . . . . 0.0 110.053 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-O 115.972 -1.966 . . . . 0.0 112.283 178.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.57 0 N-CA-C 116.565 2.061 . . . . 0.0 116.565 -174.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.62 0 CA-C-O 122.775 1.274 . . . . 0.0 112.281 -178.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 122.376 2.05 . . . . 0.0 115.134 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 177.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.257 1.449 0 N-CA-C 115.198 1.555 . . . . 0.0 115.198 178.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.118 0 O-C-N 118.315 -2.74 . . . . 0.0 114.673 -179.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.324 0 N-CA-C 115.977 1.843 . . . . 0.0 115.977 179.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.056 0 CA-C-N 120.29 1.139 . . . . 0.0 114.802 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.264 1.025 . . . . 0.0 112.064 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 O-C-N 125.109 1.506 . . . . 0.0 111.475 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.255 1.366 0 N-CA-C 116.902 2.186 . . . . 0.0 116.902 179.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 127.67 2.388 . . . . 0.0 115.553 -178.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.863 0 N-CA-C 117.114 2.264 . . . . 0.0 117.114 -178.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.043 0 CA-C-O 115.681 -2.733 . . . . 0.0 118.856 177.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.96 0 CA-C-N 124.176 3.988 . . . . 0.0 111.371 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-O 115.59 -2.148 . . . . 0.0 106.292 177.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.539 0 O-C-N 125.554 1.784 . . . . 0.0 107.628 -178.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.256 1.438 0 O-C-N 125.822 1.951 . . . . 0.0 111.49 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-O 122.055 0.931 . . . . 0.0 110.772 179.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.248 1.018 0 N-CA-C 106.758 -1.571 . . . . 0.0 106.758 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.266 1.945 0 O-C-N 126.001 2.063 . . . . 0.0 116.201 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.769 0 CA-C-O 117.944 -1.027 . . . . 0.0 112.594 -178.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 1.993 0 N-CA-C 107.766 -2.134 . . . . 0.0 107.766 -178.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 125.371 2.51 . . . . 0.0 112.683 -177.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.866 0 CA-C-N 110.911 -2.859 . . . . 0.0 110.413 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -0.989 0 O-C-N 126.36 2.288 . . . . 0.0 105.408 176.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.395 0 N-CA-C 117.802 2.519 . . . . 0.0 117.802 -176.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 178.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 103.846 -2.65 . . . . 0.0 103.846 177.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 CA-C-N 112.052 -2.34 . . . . 0.0 108.017 -179.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.254 1.346 0 N-CA-C 118.516 2.166 . . . . 0.0 118.516 -178.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.243 0.712 0 CA-C-N 118.228 1.014 . . . . 0.0 112.25 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.646 0 N-CA-C 112.632 0.605 . . . . 0.0 112.632 -177.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.847 0 CA-C-O 124.225 1.964 . . . . 0.0 110.072 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.879 0 CA-C-N 113.404 -1.726 . . . . 0.0 108.381 -178.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.464 0.527 0 CA-C-N 113.983 -1.462 . . . . 0.0 110.18 179.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 124.831 0.959 . . . . 0.0 110.015 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.974 0 CA-C-N 114.391 -1.277 . . . . 0.0 109.316 179.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.21 0 O-C-N 124.548 1.155 . . . . 0.0 110.152 178.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.31 -0.877 0 N-CA-C 119.05 2.38 . . . . 0.0 119.05 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.214 -0.815 0 O-C-N 120.869 -1.371 . . . . 0.0 109.077 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 178.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.266 1.93 0 O-C-N 125.658 1.849 . . . . 0.0 110.242 179.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.295 0.569 . . . . 0.0 111.871 -179.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 115.773 -2.061 . . . . 0.0 108.781 -177.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.293 -1.857 0 O-C-N 127.218 2.824 . . . . 0.0 110.387 178.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 117.666 -1.159 . . . . 0.0 109.58 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 O-C-N 128.154 3.409 . . . . 0.0 112.828 -177.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.252 1.225 0 O-C-N 125.152 1.532 . . . . 0.0 111.772 -178.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 123.878 0.871 . . . . 0.0 110.207 178.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 118.031 2.604 . . . . 0.0 118.031 175.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.041 0 C-N-CA 124.055 0.942 . . . . 0.0 109.074 177.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 127.408 2.943 . . . . 0.0 111.346 -177.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 130.003 3.321 . . . . 0.0 109.022 178.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.928 0 O-C-N 126.78 2.55 . . . . 0.0 113.78 -178.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 115.245 1.572 . . . . 0.0 115.245 -178.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 124.744 1.277 . . . . 0.0 109.9 178.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 123.973 0.909 . . . . 0.0 109.189 178.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.865 0 C-N-CA 123.513 0.725 . . . . 0.0 112.734 -178.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-O 116.976 -1.487 . . . . 0.0 111.008 -177.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 CA-C-O 116.74 -1.6 . . . . 0.0 110.668 -176.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.154 0 CA-C-N 119.567 1.076 . . . . 0.0 112.818 -178.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.431 -1.399 0 C-N-CA 124.928 1.291 . . . . 0.0 111.638 -178.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 124.984 1.428 . . . . 0.0 108.294 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.295 -1.768 0 O-C-N 126.555 2.41 . . . . 0.0 111.594 -178.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.249 1.028 0 C-N-CA 120.179 -0.608 . . . . 0.0 110.522 177.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.732 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 -177.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 125.68 1.592 . . . . 0.0 111.258 177.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.466 0.657 0 O-C-N 121.286 -0.884 . . . . 0.0 114.26 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 113.283 0.845 . . . . 0.0 113.283 179.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 119.816 -1.803 . . . . 0.0 109.662 -179.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 116.383 1.994 . . . . 0.0 116.383 -176.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 125.252 1.595 . . . . 0.0 110.284 -176.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 112.527 -2.124 . . . . 0.0 108.332 176.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 N-CA-C 104.501 -2.407 . . . . 0.0 104.501 178.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 125.391 1.682 . . . . 0.0 108.289 -177.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.287 0 O-C-N 125.945 2.028 . . . . 0.0 110.967 -175.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.474 -2.48 0 O-C-N 126.252 2.711 . . . . 0.0 115.047 -176.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.505 0 O-C-N 120.409 -1.432 . . . . 0.0 113.824 177.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.352 0 N-CA-C 115.58 1.696 . . . . 0.0 115.58 -176.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.263 1.807 0 CA-C-O 115.094 -2.384 . . . . 0.0 112.784 -178.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.61 0 CA-C-N 120.895 1.679 . . . . 0.0 114.875 -178.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.051 0 C-N-CA 127.018 2.127 . . . . 0.0 111.213 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 O-C-N 126.244 2.215 . . . . 0.0 110.488 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 107.082 -1.451 . . . . 0.0 107.082 177.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.263 1.777 0 C-N-CA 126.547 1.939 . . . . 0.0 112.615 178.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.252 1.2 0 CA-C-N 113.218 -1.81 . . . . 0.0 111.438 -177.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.309 -1.173 0 C-N-CA 123.878 0.871 . . . . 0.0 113.188 -179.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 104.147 -2.538 . . . . 0.0 104.147 177.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 104.831 -2.285 . . . . 0.0 104.831 178.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 128.526 3.641 . . . . 0.0 117.003 -175.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.337 0 N-CA-C 105.262 -3.135 . . . . 0.0 105.262 177.13 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.273 2.316 0 O-C-N 128.496 3.116 . . . . 0.0 106.545 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.244 0.787 0 C-N-CA 118.904 -1.118 . . . . 0.0 112.66 -177.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.745 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 177.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.244 0.797 0 CA-C-O 122.436 1.112 . . . . 0.0 108.067 176.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.285 0 C-N-CA 121.464 1.443 . . . . 0.0 111.864 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 177.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 105.355 -2.091 . . . . 0.0 105.355 177.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 122.778 1.275 . . . . 0.0 110.101 -176.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.165 0 CA-C-N 112.696 -2.047 . . . . 0.0 112.769 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.214 0 CA-C-N 118.142 0.971 . . . . 0.0 110.742 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.928 0 O-C-N 123.49 1.258 . . . . 0.0 111.654 176.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.042 0 N-CA-C 103.165 -2.902 . . . . 0.0 103.165 178.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.306 -1.32 0 O-C-N 126.883 2.615 . . . . 0.0 112.22 -178.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.682 0 N-CA-C 107.573 -1.741 . . . . 0.0 107.573 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.939 0 O-C-N 128.045 3.341 . . . . 0.0 103.039 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.266 1.961 0 CA-C-O 115.971 -1.966 . . . . 0.0 108.795 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.838 0 N-CA-C 104.132 -3.587 . . . . 0.0 104.132 -179.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.257 1.473 0 CA-C-O 115.723 -2.084 . . . . 0.0 109.468 -177.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.569 1.701 0 N-CA-C 103.737 -2.69 . . . . 0.0 103.737 -179.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.061 0 O-C-N 127.68 3.112 . . . . 0.0 113.533 -179.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 106.332 -1.729 . . . . 0.0 106.332 -177.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.949 0 O-C-N 126.329 2.268 . . . . 0.0 107.665 -179.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 118.966 -2.491 . . . . 0.0 110.271 -177.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.295 0 N-CA-C 100.582 -3.859 . . . . 0.0 100.582 -177.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.445 -1.351 0 CA-C-O 115.21 -2.079 . . . . 0.0 112.077 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.823 0 CA-C-N 120.694 1.588 . . . . 0.0 109.554 177.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.421 0 CA-C-N 112.814 -1.994 . . . . 0.0 110.59 178.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.283 0 O-C-N 120.945 -1.097 . . . . 0.0 110.425 178.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.168 0 O-C-N 125.816 1.948 . . . . 0.0 110.236 -178.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.075 0 O-C-N 127.041 2.713 . . . . 0.0 107.056 178.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.599 0 CA-C-O 122.265 1.031 . . . . 0.0 112.97 177.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.903 0 O-C-N 117.426 -3.296 . . . . 0.0 114.575 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.823 0 O-C-N 125.638 1.836 . . . . 0.0 108.172 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.562 1 O-C-N 129.261 4.101 . . . . 0.0 109.774 179.194 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 120.077 -1.639 . . . . 0.0 111.832 179.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.513 0 C-N-CA 125.136 1.374 . . . . 0.0 112.814 178.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.03 0 C-N-CA 127.95 2.69 . . . . 0.0 114.324 -178.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.275 0 C-N-CA 128.279 2.632 . . . . 0.0 111.542 -177.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 C-N-CA 117.58 -1.648 . . . . 0.0 107.385 178.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.287 -2.116 0 CA-C-O 117.252 -1.356 . . . . 0.0 109.009 -178.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.33 0 C-N-CA 122.852 2.368 . . . . 0.0 111.76 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 0.981 0 O-C-N 118.599 -2.563 . . . . 0.0 115.746 -177.159 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.042 0 C-N-CA 126.566 1.947 . . . . 0.0 110.88 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.939 0 C-N-CA 123.403 2.736 . . . . 0.0 115.442 -178.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-N 121.355 1.888 . . . . 0.0 113.418 177.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 124.948 1.299 . . . . 0.0 108.045 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.85 0 C-N-CA 119.064 -1.054 . . . . 0.0 109.728 179.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.581 -0.699 . . . . 0.0 109.314 179.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 114.222 -1.354 . . . . 0.0 109.706 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-N 119.581 1.082 . . . . 0.0 111.99 -177.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-O 117.072 -1.442 . . . . 0.0 111.845 -178.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 115.093 1.516 . . . . 0.0 115.093 -178.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.494 0 CA-C-N 114.541 -1.209 . . . . 0.0 109.163 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-O 124.851 2.262 . . . . 0.0 109.414 178.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.03 0 CA-C-N 112.748 -2.023 . . . . 0.0 111.29 178.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-N 121.135 1.788 . . . . 0.0 112.757 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.313 0 CA-C-O 118.464 -0.779 . . . . 0.0 112.257 -176.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 O-C-N 124.067 0.854 . . . . 0.0 109.073 -179.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-O 115.284 -2.293 . . . . 0.0 110.904 -178.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.206 0 O-C-N 127.525 3.016 . . . . 0.0 111.077 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.296 -1.759 0 C-N-CA 127.418 2.287 . . . . 0.0 113.742 -177.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 125.962 2.039 . . . . 0.0 112.22 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.384 0 CA-C-N 121.293 1.861 . . . . 0.0 114.825 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.26 1.613 0 C-N-CA 124.781 1.233 . . . . 0.0 111.376 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 107.187 -1.412 . . . . 0.0 107.187 178.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.233 0 N-CA-C 107.308 -1.367 . . . . 0.0 107.308 178.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 O-C-N 124.843 1.339 . . . . 0.0 110.036 -178.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-N 113.645 -1.616 . . . . 0.0 111.052 178.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 127.113 2.165 . . . . 0.0 112.502 -178.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 113.665 -1.607 . . . . 0.0 111.974 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.658 0 CA-C-O 116.739 -1.601 . . . . 0.0 111.709 -178.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 126.56 2.413 . . . . 0.0 107.543 178.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 C--N 1.312 -1.038 0 C-N-CA 126.346 1.858 . . . . 0.0 113.164 179.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.639 -179.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.308 -1.217 0 O-C-N 124.442 1.089 . . . . 0.0 108.188 178.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-O 116.527 -1.701 . . . . 0.0 112.051 179.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.535 0 N-CA-C 115.873 1.805 . . . . 0.0 115.873 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 O-C-N 124.488 1.117 . . . . 0.0 111.07 -177.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.126 0 O-C-N 125.432 1.708 . . . . 0.0 111.355 -178.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.064 0 C-N-CA 127.311 2.245 . . . . 0.0 107.462 179.112 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 500' ' ' MXT . . . . . 1.366 ' C11' ' H ' ' A' ' 41' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 600' ' ' MXT . . . . . 0.898 H231 ' O11' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.467 ' HB3' ' O12' ' A' ' 500' ' ' MXT . 31.9 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.308 0 O-C-N 125.664 1.852 . . . . 0.0 106.846 170.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.782 1 O-C-N 129.21 4.268 . . . . 0.0 107.958 -176.218 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.919 0 CA-C-N 121.009 1.731 . . . . 0.0 112.627 -178.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.195 0 CA-C-N 114.231 -1.349 . . . . 0.0 110.905 -177.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.143 0 C-N-CA 126.993 2.117 . . . . 0.0 110.231 -177.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.451 0 O-C-N 120.938 -1.101 . . . . 0.0 109.825 179.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.564 0 N-CA-C 105.903 -1.888 . . . . 0.0 105.903 -177.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 127.141 2.775 . . . . 0.0 107.847 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.572 1.795 0 CA-C-O 115.398 -2.239 . . . . 0.0 106.451 177.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 C--N 1.277 -2.572 1 O-C-N 130.719 5.012 . . . . 0.0 106.327 177.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.162 0 CA-C-O 113.734 -3.031 . . . . 0.0 105.886 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-N 121.197 1.817 . . . . 0.0 110.038 -177.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.804 0 O-C-N 125.86 1.975 . . . . 0.0 105.756 -176.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.379 0 O-C-N 127.504 3.002 . . . . 0.0 112.754 -176.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.93 0 O-C-N 127.224 2.828 . . . . 0.0 112.267 177.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 122.147 2.249 . . . . 0.0 111.891 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.331 -0.235 0 O-C-N 126.663 2.477 . . . . 0.0 109.729 -174.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--O 1.242 0.702 0 C-N-CA 124.626 3.551 . . . . 0.0 111.943 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.864 0 CA-C-N 111.77 -2.468 . . . . 0.0 106.715 179.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.245 0 O-C-N 127.508 3.373 . . . . 0.0 107.933 178.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.514 0 C-N-CA 121.843 1.695 . . . . 0.0 108.345 178.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.58 0 O-C-N 127.064 2.728 . . . . 0.0 112.207 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.291 -1.967 0 C-N-CA 126.781 2.032 . . . . 0.0 114.951 -174.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.57 1.714 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 175.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 124.946 1.404 . . . . 0.0 113.682 -175.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.445 0 CA-C-O 117.4 -1.286 . . . . 0.0 112.804 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.302 0 CA-C-N 121.737 2.062 . . . . 0.0 114.942 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.474 0 C-N-CA 122.156 1.904 . . . . 0.0 113.316 178.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.915 0 C-N-CA 129.774 3.229 . . . . 0.0 112.274 178.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.042 0 O-C-N 119.404 -2.06 . . . . 0.0 109.485 178.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.559 1.31 0 CA-C-O 115.587 -2.149 . . . . 0.0 109.256 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 127.39 2.931 . . . . 0.0 109.402 179.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.253 1.276 0 O-C-N 120.274 -1.516 . . . . 0.0 112.883 177.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 122.042 0.925 . . . . 0.0 113.369 179.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.306 -1.285 0 C-N-CA 126.471 1.908 . . . . 0.0 109.285 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 125.081 1.488 . . . . 0.0 110.262 175.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.146 0 C-N-CA 127.109 2.163 . . . . 0.0 114.624 178.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 1.981 0 CA-C-O 117.088 -1.951 . . . . 0.0 112.342 178.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.415 0 CA-C-N 118.138 0.969 . . . . 0.0 108.504 179.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 176.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.246 0.918 0 C-N-CA 123.946 0.898 . . . . 0.0 112.893 -179.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.256 1.429 0 N-CA-C 114.973 1.472 . . . . 0.0 114.973 -175.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.105 0 C-N-CA 125.044 1.337 . . . . 0.0 108.104 175.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.873 0 O-C-N 124.524 1.14 . . . . 0.0 107.93 177.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.21 -0.985 0 CA-C-N 114.279 -1.328 . . . . 0.0 110.115 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-O 115.99 -1.957 . . . . 0.0 112.298 178.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.558 0 C-N-CA 126.859 2.063 . . . . 0.0 116.557 -174.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.602 0 CA-C-O 122.771 1.272 . . . . 0.0 112.29 -178.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 122.401 2.068 . . . . 0.0 115.096 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 177.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.42 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 178.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.497 -1.079 0 O-C-N 118.286 -2.759 . . . . 0.0 114.625 -179.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.333 0 N-CA-C 115.971 1.841 . . . . 0.0 115.971 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.057 0 CA-C-N 120.248 1.124 . . . . 0.0 114.859 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.296 1.038 . . . . 0.0 112.03 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 O-C-N 125.069 1.481 . . . . 0.0 111.481 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.253 1.287 0 N-CA-C 116.891 2.182 . . . . 0.0 116.891 179.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 127.623 2.369 . . . . 0.0 115.527 -178.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.246 0.88 0 N-CA-C 117.133 2.272 . . . . 0.0 117.133 -178.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.079 0 CA-C-O 115.692 -2.727 . . . . 0.0 118.873 177.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.958 0 CA-C-N 124.184 3.992 . . . . 0.0 111.364 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-O 115.665 -2.112 . . . . 0.0 106.255 177.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.302 -1.491 0 O-C-N 125.468 1.73 . . . . 0.0 107.627 -179.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.258 1.507 0 O-C-N 125.767 1.917 . . . . 0.0 111.499 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.366 0 CA-C-O 122.112 0.958 . . . . 0.0 110.727 179.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.248 1.023 0 N-CA-C 106.748 -1.575 . . . . 0.0 106.748 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 1.974 0 O-C-N 126.045 2.091 . . . . 0.0 116.204 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.806 0 CA-C-O 117.948 -1.025 . . . . 0.0 112.614 -178.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.485 1.955 0 N-CA-C 107.841 -2.103 . . . . 0.0 107.841 -178.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 125.353 2.501 . . . . 0.0 112.647 -177.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.826 0 CA-C-N 110.91 -2.859 . . . . 0.0 110.399 179.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -0.979 0 O-C-N 126.365 2.291 . . . . 0.0 105.397 176.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.377 0 N-CA-C 117.805 2.52 . . . . 0.0 117.805 -176.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 178.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 103.816 -2.661 . . . . 0.0 103.816 177.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 CA-C-N 112.026 -2.352 . . . . 0.0 108.049 -179.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.254 1.35 0 N-CA-C 118.527 2.171 . . . . 0.0 118.527 -178.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.702 0 O-C-N 121.47 -1.018 . . . . 0.0 112.203 -179.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.654 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -177.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.859 0 CA-C-O 124.167 1.937 . . . . 0.0 110.072 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.912 0 CA-C-N 113.398 -1.728 . . . . 0.0 108.362 -178.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 C--N 1.318 -0.469 0 CA-C-N 114.082 -1.417 . . . . 0.0 110.178 179.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 124.841 0.965 . . . . 0.0 110.0 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.996 0 CA-C-N 114.384 -1.28 . . . . 0.0 109.362 179.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 124.522 1.138 . . . . 0.0 110.174 178.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 CA--C 1.501 -0.831 0 N-CA-C 119.059 2.383 . . . . 0.0 119.059 -179.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.837 0 O-C-N 120.867 -1.373 . . . . 0.0 109.104 179.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 178.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.881 0 O-C-N 125.687 1.867 . . . . 0.0 110.276 179.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.32 0.581 . . . . 0.0 111.869 -179.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 115.704 -2.093 . . . . 0.0 108.765 -177.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.293 -1.891 0 O-C-N 127.282 2.864 . . . . 0.0 110.398 178.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-O 117.637 -1.173 . . . . 0.0 109.567 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 O-C-N 128.157 3.411 . . . . 0.0 112.832 -177.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.252 1.232 0 O-C-N 125.149 1.53 . . . . 0.0 111.709 -178.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 123.848 0.859 . . . . 0.0 110.147 178.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.959 0 N-CA-C 118.019 2.6 . . . . 0.0 118.019 175.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.05 0 C-N-CA 124.069 0.947 . . . . 0.0 109.106 177.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 127.435 2.96 . . . . 0.0 111.364 -177.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.373 0 C-N-CA 129.969 3.308 . . . . 0.0 108.986 178.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.962 0 O-C-N 126.729 2.518 . . . . 0.0 113.748 -178.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 115.3 1.593 . . . . 0.0 115.3 -178.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 124.723 1.264 . . . . 0.0 109.931 178.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.39 0 C-N-CA 124.022 0.929 . . . . 0.0 109.188 179.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.862 0 C-N-CA 123.503 0.721 . . . . 0.0 112.733 -178.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-O 116.99 -1.481 . . . . 0.0 110.978 -177.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 CA-C-O 116.754 -1.593 . . . . 0.0 110.723 -176.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.143 0 CA-C-N 119.556 1.071 . . . . 0.0 112.847 -178.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 124.939 1.296 . . . . 0.0 111.702 -178.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 125.053 1.471 . . . . 0.0 108.288 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 126.566 2.417 . . . . 0.0 111.623 -178.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.002 0 O-C-N 123.684 0.615 . . . . 0.0 110.498 177.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 -177.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 125.649 1.58 . . . . 0.0 111.258 177.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 C--O 1.243 0.656 0 O-C-N 121.353 -0.842 . . . . 0.0 114.251 -179.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.621 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 179.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 119.823 -1.798 . . . . 0.0 109.622 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 116.351 1.982 . . . . 0.0 116.351 -176.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 125.225 1.578 . . . . 0.0 110.323 -176.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 112.513 -2.13 . . . . 0.0 108.295 176.038 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 N-CA-C 104.487 -2.412 . . . . 0.0 104.487 178.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 125.399 1.687 . . . . 0.0 108.285 -177.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.29 0 O-C-N 125.922 2.014 . . . . 0.0 110.992 -175.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.447 0 O-C-N 126.282 2.727 . . . . 0.0 115.072 -176.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.526 0 O-C-N 120.393 -1.442 . . . . 0.0 113.827 177.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.374 0 N-CA-C 115.612 1.708 . . . . 0.0 115.612 -176.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.264 1.834 0 CA-C-O 115.111 -2.376 . . . . 0.0 112.729 -178.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.653 0 CA-C-N 120.952 1.706 . . . . 0.0 114.833 -178.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.311 -1.08 0 C-N-CA 127.063 2.145 . . . . 0.0 111.173 -179.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 O-C-N 126.171 2.169 . . . . 0.0 110.481 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 125.387 1.475 . . . . 0.0 107.03 177.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.726 0 C-N-CA 126.597 1.959 . . . . 0.0 112.635 179.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.15 0 CA-C-N 113.154 -1.839 . . . . 0.0 111.437 -177.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.126 0 C-N-CA 123.864 0.866 . . . . 0.0 113.114 -179.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 104.159 -2.534 . . . . 0.0 104.159 177.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 104.869 -2.271 . . . . 0.0 104.869 178.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 128.512 3.633 . . . . 0.0 116.965 -175.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.339 0 N-CA-C 105.255 -3.138 . . . . 0.0 105.255 177.084 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.273 2.33 0 O-C-N 128.504 3.12 . . . . 0.0 106.504 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.244 0.803 0 C-N-CA 118.91 -1.116 . . . . 0.0 112.673 -177.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.77 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 177.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.823 0 CA-C-O 122.46 1.124 . . . . 0.0 108.088 176.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 121.487 1.458 . . . . 0.0 111.868 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 177.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 105.343 -2.095 . . . . 0.0 105.343 177.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 122.813 1.292 . . . . 0.0 110.076 -176.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.168 0 CA-C-N 112.706 -2.043 . . . . 0.0 112.742 179.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.222 0 CA-C-N 118.18 0.99 . . . . 0.0 110.707 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.963 0 O-C-N 123.444 1.234 . . . . 0.0 111.619 177.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 103.143 -2.91 . . . . 0.0 103.143 178.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.338 0 O-C-N 126.908 2.63 . . . . 0.0 112.237 -178.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.697 0 N-CA-C 107.557 -1.747 . . . . 0.0 107.557 -179.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.974 0 O-C-N 128.131 3.394 . . . . 0.0 102.982 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.982 0 CA-C-O 115.993 -1.956 . . . . 0.0 108.803 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.544 1.849 0 N-CA-C 104.108 -3.597 . . . . 0.0 104.108 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.537 0 CA-C-O 115.687 -2.101 . . . . 0.0 109.458 -178.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.742 0 N-CA-C 103.657 -2.72 . . . . 0.0 103.657 -179.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.059 0 O-C-N 127.769 3.168 . . . . 0.0 113.524 -177.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 -178.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.955 0 O-C-N 126.286 2.241 . . . . 0.0 107.638 -179.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.563 -2.139 . . . . 0.0 110.271 -177.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.32 0 N-CA-C 100.578 -3.86 . . . . 0.0 100.578 -174.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.445 -1.345 0 CA-C-O 115.234 -2.069 . . . . 0.0 112.096 178.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.272 -2.8 0 CA-C-N 120.69 1.586 . . . . 0.0 109.547 177.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.43 0 CA-C-N 112.834 -1.985 . . . . 0.0 110.589 178.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.322 0 O-C-N 120.955 -1.091 . . . . 0.0 110.433 178.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.169 0 O-C-N 125.795 1.935 . . . . 0.0 110.298 -178.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.072 0 O-C-N 127.054 2.721 . . . . 0.0 107.019 178.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.626 0 CA-C-O 122.205 1.002 . . . . 0.0 112.958 177.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.44 -0.927 0 O-C-N 117.466 -3.271 . . . . 0.0 114.576 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.799 0 O-C-N 125.605 1.816 . . . . 0.0 108.152 179.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.299 -1.604 1 O-C-N 129.258 4.099 . . . . 0.0 109.759 179.215 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 120.09 -1.631 . . . . 0.0 111.84 179.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.302 -1.494 0 C-N-CA 125.124 1.37 . . . . 0.0 112.782 178.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.049 0 C-N-CA 128.027 2.727 . . . . 0.0 114.307 -178.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.254 0 C-N-CA 128.252 2.621 . . . . 0.0 111.515 -177.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 C-N-CA 117.571 -1.652 . . . . 0.0 107.41 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.102 0 CA-C-O 117.275 -1.345 . . . . 0.0 109.014 -179.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.314 -1.261 0 C-N-CA 122.859 2.373 . . . . 0.0 111.768 178.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.005 0 O-C-N 118.657 -2.527 . . . . 0.0 115.743 -177.628 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.043 0 C-N-CA 126.645 1.978 . . . . 0.0 110.912 178.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.954 0 C-N-CA 123.416 2.744 . . . . 0.0 115.488 177.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.698 0 CA-C-N 121.278 1.853 . . . . 0.0 113.461 178.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 124.96 1.304 . . . . 0.0 108.034 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.837 0 C-N-CA 119.057 -1.057 . . . . 0.0 109.724 179.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.576 -0.703 . . . . 0.0 109.261 179.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 114.24 -1.345 . . . . 0.0 109.725 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-N 119.609 1.095 . . . . 0.0 111.995 -177.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-O 117.101 -1.428 . . . . 0.0 111.918 -178.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 115.019 1.489 . . . . 0.0 115.019 -178.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.484 0 CA-C-N 114.567 -1.197 . . . . 0.0 109.155 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-O 124.856 2.265 . . . . 0.0 109.474 178.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.499 -1.019 0 CA-C-N 112.728 -2.033 . . . . 0.0 111.268 178.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.295 -1.762 0 CA-C-N 121.156 1.798 . . . . 0.0 112.742 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.317 0 CA-C-O 118.43 -0.795 . . . . 0.0 112.271 -176.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 O-C-N 124.11 0.881 . . . . 0.0 109.08 -179.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-O 115.242 -2.313 . . . . 0.0 110.915 -178.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.309 -1.181 0 O-C-N 127.586 3.054 . . . . 0.0 111.043 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.788 0 C-N-CA 127.364 2.266 . . . . 0.0 113.754 -177.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 126.001 2.063 . . . . 0.0 112.2 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.391 0 CA-C-N 121.326 1.875 . . . . 0.0 114.785 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.588 0 C-N-CA 124.857 1.263 . . . . 0.0 111.415 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 107.165 -1.42 . . . . 0.0 107.165 179.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 178.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 O-C-N 124.86 1.35 . . . . 0.0 110.062 -178.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-N 113.633 -1.621 . . . . 0.0 110.995 178.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 127.146 2.178 . . . . 0.0 112.526 -178.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 113.718 -1.583 . . . . 0.0 111.931 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-O 116.77 -1.586 . . . . 0.0 111.69 -178.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 126.512 2.382 . . . . 0.0 107.556 178.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.065 0 C-N-CA 126.376 1.87 . . . . 0.0 113.18 179.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.64 -179.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.193 0 O-C-N 124.459 1.099 . . . . 0.0 108.227 178.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 116.573 -1.679 . . . . 0.0 112.11 179.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.257 1.478 0 N-CA-C 115.878 1.807 . . . . 0.0 115.878 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 O-C-N 124.497 1.123 . . . . 0.0 111.16 -177.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.115 0 O-C-N 125.431 1.707 . . . . 0.0 111.362 -178.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.042 0 C-N-CA 127.298 2.239 . . . . 0.0 107.44 179.145 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 500' ' ' MXT . . . . . 0.921 ' O11' H231 ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 600' ' ' MXT . . . . . 0.744 H231 ' O12' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.435 ' C ' ' O12' ' A' ' 500' ' ' MXT . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 1.032 ' N ' ' O12' ' A' ' 500' ' ' MXT . 6.6 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.323 0 O-C-N 125.664 1.852 . . . . 0.0 106.871 169.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.746 1 O-C-N 129.21 4.269 . . . . 0.0 107.952 -175.646 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.897 0 CA-C-N 120.998 1.727 . . . . 0.0 112.648 -178.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.195 0 CA-C-N 114.219 -1.355 . . . . 0.0 110.89 -176.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.198 0 C-N-CA 126.971 2.109 . . . . 0.0 110.242 -176.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.475 0 O-C-N 120.915 -1.115 . . . . 0.0 109.817 178.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.258 1.551 0 N-CA-C 105.921 -1.881 . . . . 0.0 105.921 -177.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 127.171 2.795 . . . . 0.0 107.849 179.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.783 0 CA-C-O 115.408 -2.234 . . . . 0.0 106.457 177.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.537 1 O-C-N 130.676 4.985 . . . . 0.0 106.3 177.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.152 0 CA-C-O 113.775 -3.012 . . . . 0.0 105.834 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-N 121.134 1.788 . . . . 0.0 110.024 -177.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 125.894 1.996 . . . . 0.0 105.784 -176.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.367 0 O-C-N 127.464 2.977 . . . . 0.0 112.752 -176.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.953 0 O-C-N 127.235 2.834 . . . . 0.0 112.246 177.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.928 0 O-C-N 119.067 -2.271 . . . . 0.0 111.888 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--O 1.226 -0.177 0 O-C-N 126.667 2.479 . . . . 0.0 109.707 -174.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.754 0 C-N-CA 124.717 3.612 . . . . 0.0 111.962 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.477 0.881 0 CA-C-N 111.694 -2.503 . . . . 0.0 106.742 179.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.249 0 O-C-N 127.526 3.382 . . . . 0.0 107.937 178.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.52 0 C-N-CA 121.829 1.686 . . . . 0.0 108.369 178.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.598 0 O-C-N 127.04 2.712 . . . . 0.0 112.211 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.985 0 C-N-CA 126.77 2.028 . . . . 0.0 114.955 -174.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.698 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 175.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 124.922 1.389 . . . . 0.0 113.591 -175.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.408 0 CA-C-O 117.387 -1.292 . . . . 0.0 112.74 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.253 1.263 0 CA-C-N 121.765 2.075 . . . . 0.0 115.008 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.45 0 C-N-CA 122.127 1.885 . . . . 0.0 113.368 178.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.91 0 C-N-CA 129.76 3.224 . . . . 0.0 112.247 178.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.311 -1.079 0 O-C-N 119.437 -2.039 . . . . 0.0 109.532 177.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.559 1.304 0 CA-C-O 115.583 -2.151 . . . . 0.0 109.243 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 127.397 2.935 . . . . 0.0 109.402 179.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.226 0 O-C-N 120.341 -1.475 . . . . 0.0 112.91 177.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-O 122.07 0.938 . . . . 0.0 113.36 179.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.259 0 C-N-CA 126.497 1.919 . . . . 0.0 109.247 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 125.093 1.496 . . . . 0.0 110.269 175.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.153 0 C-N-CA 127.084 2.153 . . . . 0.0 114.586 178.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.547 2.058 0 CA-C-O 117.034 -1.981 . . . . 0.0 112.338 178.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-N 118.121 0.96 . . . . 0.0 108.485 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 107.308 -1.367 . . . . 0.0 107.308 176.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.951 0 C-N-CA 123.924 0.89 . . . . 0.0 112.832 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.499 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 -175.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.099 0 C-N-CA 125.056 1.342 . . . . 0.0 108.088 175.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 177.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.936 0 CA-C-N 114.262 -1.336 . . . . 0.0 110.098 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-O 115.991 -1.956 . . . . 0.0 112.311 178.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.549 0 N-CA-C 116.558 2.059 . . . . 0.0 116.558 -174.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.63 0 CA-C-O 122.768 1.271 . . . . 0.0 112.317 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 122.38 2.053 . . . . 0.0 115.121 -179.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 107.497 -1.298 . . . . 0.0 107.497 177.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.435 0 N-CA-C 115.146 1.536 . . . . 0.0 115.146 178.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.114 0 O-C-N 118.281 -2.762 . . . . 0.0 114.636 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.297 0 N-CA-C 115.943 1.831 . . . . 0.0 115.943 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.038 0 CA-C-N 120.274 1.134 . . . . 0.0 114.896 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.258 1.023 . . . . 0.0 112.035 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 O-C-N 125.064 1.477 . . . . 0.0 111.46 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.318 0 N-CA-C 116.966 2.209 . . . . 0.0 116.966 179.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 127.665 2.386 . . . . 0.0 115.533 -178.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.246 0.884 0 N-CA-C 117.1 2.259 . . . . 0.0 117.1 -178.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.051 0 CA-C-O 115.689 -2.729 . . . . 0.0 118.863 177.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.29 -1.994 0 CA-C-N 124.149 3.975 . . . . 0.0 111.364 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-O 115.656 -2.116 . . . . 0.0 106.273 177.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.508 0 O-C-N 125.488 1.743 . . . . 0.0 107.633 -178.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.256 1.43 0 O-C-N 125.757 1.91 . . . . 0.0 111.499 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-O 122.113 0.959 . . . . 0.0 110.724 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.076 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 1.993 0 O-C-N 126.026 2.079 . . . . 0.0 116.225 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.264 1.822 0 CA-C-O 117.946 -1.026 . . . . 0.0 112.608 -178.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 1.978 0 N-CA-C 107.791 -2.124 . . . . 0.0 107.791 -178.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 125.358 2.504 . . . . 0.0 112.698 -177.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.816 0 CA-C-N 110.936 -2.847 . . . . 0.0 110.383 179.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -0.983 0 O-C-N 126.368 2.292 . . . . 0.0 105.393 176.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.366 0 N-CA-C 117.835 2.532 . . . . 0.0 117.835 -176.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 178.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 103.851 -2.648 . . . . 0.0 103.851 177.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 CA-C-N 112.023 -2.353 . . . . 0.0 108.041 -179.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.288 0 N-CA-C 118.495 2.158 . . . . 0.0 118.495 -178.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.684 0 O-C-N 121.512 -0.993 . . . . 0.0 112.229 -179.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.663 0 O-C-N 123.697 0.623 . . . . 0.0 112.62 -177.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.827 0 CA-C-O 124.215 1.959 . . . . 0.0 110.103 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.874 0 CA-C-N 113.425 -1.716 . . . . 0.0 108.423 -178.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.464 0.501 0 CA-C-N 114.007 -1.451 . . . . 0.0 110.162 179.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 124.765 0.921 . . . . 0.0 110.037 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.992 0 CA-C-N 114.329 -1.305 . . . . 0.0 109.381 179.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.202 0 O-C-N 124.493 1.121 . . . . 0.0 110.185 178.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.841 0 N-CA-C 119.044 2.378 . . . . 0.0 119.044 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.828 0 O-C-N 120.829 -1.395 . . . . 0.0 109.119 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 107.126 -1.435 . . . . 0.0 107.126 178.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.881 0 O-C-N 125.663 1.852 . . . . 0.0 110.288 179.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.248 0.547 . . . . 0.0 111.824 -179.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 115.753 -2.07 . . . . 0.0 108.82 -177.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.907 0 O-C-N 127.266 2.854 . . . . 0.0 110.353 178.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 117.663 -1.161 . . . . 0.0 109.569 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 O-C-N 128.112 3.383 . . . . 0.0 112.841 -177.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.254 1.307 0 O-C-N 125.175 1.547 . . . . 0.0 111.732 -178.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 123.857 0.863 . . . . 0.0 110.202 178.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.292 -1.93 0 N-CA-C 118.034 2.605 . . . . 0.0 118.034 175.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.028 0 C-N-CA 124.056 0.942 . . . . 0.0 109.118 177.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 127.46 2.975 . . . . 0.0 111.383 -177.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.408 0 C-N-CA 129.995 3.318 . . . . 0.0 108.973 178.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.246 0.919 0 O-C-N 126.782 2.552 . . . . 0.0 113.747 -178.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 115.266 1.58 . . . . 0.0 115.266 -178.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 124.724 1.265 . . . . 0.0 109.956 178.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.379 0 C-N-CA 123.994 0.918 . . . . 0.0 109.198 179.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.315 -0.909 0 C-N-CA 123.478 0.711 . . . . 0.0 112.688 -178.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-O 116.984 -1.484 . . . . 0.0 111.018 -177.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.638 0 CA-C-O 116.721 -1.609 . . . . 0.0 110.695 -176.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.159 0 CA-C-N 119.547 1.067 . . . . 0.0 112.885 -178.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 124.931 1.292 . . . . 0.0 111.641 -178.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 125.028 1.455 . . . . 0.0 108.276 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 126.587 2.429 . . . . 0.0 111.582 -178.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.249 1.038 0 C-N-CA 120.198 -0.601 . . . . 0.0 110.539 177.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.744 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 -177.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 125.634 1.574 . . . . 0.0 111.252 177.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 C--O 1.243 0.676 0 O-C-N 121.328 -0.857 . . . . 0.0 114.262 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 179.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 119.857 -1.777 . . . . 0.0 109.677 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.876 0 N-CA-C 116.369 1.989 . . . . 0.0 116.369 -176.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 125.264 1.602 . . . . 0.0 110.328 -176.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 112.558 -2.11 . . . . 0.0 108.307 176.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 N-CA-C 104.486 -2.412 . . . . 0.0 104.486 178.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 125.414 1.696 . . . . 0.0 108.277 -177.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.28 0 O-C-N 125.915 2.01 . . . . 0.0 110.969 -175.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.453 0 O-C-N 126.295 2.734 . . . . 0.0 115.073 -176.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.257 1.497 0 O-C-N 120.442 -1.411 . . . . 0.0 113.814 177.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.376 0 N-CA-C 115.617 1.71 . . . . 0.0 115.617 -176.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.263 1.808 0 CA-C-O 115.066 -2.397 . . . . 0.0 112.734 -178.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.644 0 CA-C-N 120.946 1.703 . . . . 0.0 114.835 -177.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.026 0 C-N-CA 127.039 2.136 . . . . 0.0 111.234 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 O-C-N 126.214 2.196 . . . . 0.0 110.489 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 107.061 -1.459 . . . . 0.0 107.061 177.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.742 0 C-N-CA 126.621 1.969 . . . . 0.0 112.586 179.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.161 0 CA-C-N 113.193 -1.821 . . . . 0.0 111.403 -177.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.309 -1.153 0 C-N-CA 123.844 0.858 . . . . 0.0 113.199 -179.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 104.154 -2.535 . . . . 0.0 104.154 177.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 104.846 -2.279 . . . . 0.0 104.846 178.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 128.494 3.621 . . . . 0.0 116.967 -175.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.584 4.358 0 N-CA-C 105.267 -3.133 . . . . 0.0 105.267 177.075 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.353 0 O-C-N 128.527 3.133 . . . . 0.0 106.543 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.244 0.814 0 C-N-CA 118.924 -1.111 . . . . 0.0 112.657 -177.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.745 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 177.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.244 0.816 0 CA-C-O 122.467 1.127 . . . . 0.0 108.1 176.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.27 0 C-N-CA 121.457 1.438 . . . . 0.0 111.873 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 177.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 105.384 -2.08 . . . . 0.0 105.384 177.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 122.754 1.264 . . . . 0.0 110.084 -176.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.161 0 CA-C-N 112.699 -2.046 . . . . 0.0 112.771 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.21 0 CA-C-N 118.139 0.97 . . . . 0.0 110.711 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.926 0 O-C-N 123.485 1.255 . . . . 0.0 111.628 177.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.046 0 N-CA-C 103.161 -2.903 . . . . 0.0 103.161 178.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.306 -1.323 0 O-C-N 126.865 2.603 . . . . 0.0 112.233 -178.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.715 0 N-CA-C 107.58 -1.739 . . . . 0.0 107.58 -179.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.939 0 O-C-N 128.082 3.364 . . . . 0.0 103.025 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.266 1.948 0 CA-C-O 115.97 -1.966 . . . . 0.0 108.837 -179.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.843 0 N-CA-C 104.092 -3.603 . . . . 0.0 104.092 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.532 0 CA-C-O 115.699 -2.096 . . . . 0.0 109.491 -177.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.569 1.701 0 N-CA-C 103.728 -2.693 . . . . 0.0 103.728 -179.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.066 0 O-C-N 127.741 3.151 . . . . 0.0 113.493 -176.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 106.306 -1.738 . . . . 0.0 106.306 -178.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.933 0 O-C-N 126.31 2.256 . . . . 0.0 107.651 -178.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 120.077 -1.837 . . . . 0.0 110.271 -177.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.335 0 N-CA-C 100.631 -3.84 . . . . 0.0 100.631 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.445 -1.331 0 CA-C-O 115.223 -2.074 . . . . 0.0 112.081 179.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.272 -2.771 0 CA-C-N 120.739 1.609 . . . . 0.0 109.562 177.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.406 0 CA-C-N 112.881 -1.963 . . . . 0.0 110.602 178.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.434 -1.269 0 O-C-N 120.924 -1.11 . . . . 0.0 110.391 178.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.556 1.192 0 O-C-N 125.827 1.954 . . . . 0.0 110.244 -178.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.289 -2.046 0 O-C-N 127.082 2.739 . . . . 0.0 107.052 178.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.484 -1.58 0 CA-C-O 122.191 0.996 . . . . 0.0 112.908 177.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.442 -0.862 0 O-C-N 117.495 -3.253 . . . . 0.0 114.594 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.571 1.787 0 O-C-N 125.6 1.812 . . . . 0.0 108.17 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.582 1 O-C-N 129.28 4.113 . . . . 0.0 109.733 179.217 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 120.0 -1.688 . . . . 0.0 111.877 179.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.3 -1.551 0 C-N-CA 125.134 1.373 . . . . 0.0 112.753 178.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.047 0 C-N-CA 127.98 2.705 . . . . 0.0 114.285 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.273 2.327 0 C-N-CA 128.216 2.606 . . . . 0.0 111.488 -177.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 C-N-CA 117.608 -1.637 . . . . 0.0 107.368 179.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.287 -2.109 0 CA-C-O 117.312 -1.328 . . . . 0.0 108.978 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.314 -1.267 0 C-N-CA 122.886 2.391 . . . . 0.0 111.723 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.247 0.97 0 O-C-N 118.696 -2.502 . . . . 0.0 115.697 -177.364 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.029 0 C-N-CA 126.567 1.947 . . . . 0.0 110.884 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.926 0 C-N-CA 123.413 2.742 . . . . 0.0 115.495 179.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-N 121.326 1.875 . . . . 0.0 113.467 178.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 124.949 1.299 . . . . 0.0 108.013 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.847 0 C-N-CA 119.075 -1.05 . . . . 0.0 109.738 179.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.569 -0.707 . . . . 0.0 109.31 179.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 114.225 -1.352 . . . . 0.0 109.765 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-N 119.548 1.067 . . . . 0.0 111.954 -177.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 117.066 -1.445 . . . . 0.0 111.858 -178.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.464 0 CA-C-N 114.563 -1.199 . . . . 0.0 109.191 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-O 124.867 2.27 . . . . 0.0 109.446 178.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.033 0 CA-C-N 112.733 -2.031 . . . . 0.0 111.275 178.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-N 121.138 1.79 . . . . 0.0 112.718 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.335 0 CA-C-O 118.476 -0.773 . . . . 0.0 112.31 -176.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 O-C-N 124.076 0.86 . . . . 0.0 109.121 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-O 115.237 -2.316 . . . . 0.0 110.854 -178.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.199 0 O-C-N 127.567 3.042 . . . . 0.0 111.025 179.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.296 -1.754 0 C-N-CA 127.409 2.283 . . . . 0.0 113.792 -177.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 125.964 2.04 . . . . 0.0 112.17 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.255 1.414 0 CA-C-N 121.355 1.889 . . . . 0.0 114.788 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.59 0 C-N-CA 124.798 1.239 . . . . 0.0 111.413 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 178.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 178.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 O-C-N 124.774 1.296 . . . . 0.0 110.003 -178.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-N 113.67 -1.604 . . . . 0.0 111.046 178.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.302 -1.486 0 C-N-CA 127.15 2.18 . . . . 0.0 112.505 -178.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 113.703 -1.59 . . . . 0.0 111.979 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-O 116.749 -1.596 . . . . 0.0 111.726 -178.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 126.509 2.381 . . . . 0.0 107.539 178.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.074 0 C-N-CA 126.445 1.898 . . . . 0.0 113.16 179.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.651 -179.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.173 0 O-C-N 124.435 1.084 . . . . 0.0 108.215 178.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-O 116.594 -1.67 . . . . 0.0 112.095 179.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.257 1.492 0 N-CA-C 115.879 1.807 . . . . 0.0 115.879 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 O-C-N 124.482 1.114 . . . . 0.0 111.127 -177.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.126 0 O-C-N 125.477 1.736 . . . . 0.0 111.355 -178.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.076 0 C-N-CA 127.302 2.241 . . . . 0.0 107.409 179.138 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 500' ' ' MXT . . . . . 1.032 ' O12' ' N ' ' A' ' 41' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 600' ' ' MXT . . . . . 0.896 ' O11' H231 ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.445 ' HB3' H122 ' A' ' 500' ' ' MXT . 25.6 t -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.317 0 O-C-N 125.664 1.852 . . . . 0.0 106.87 171.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.707 1 O-C-N 129.201 4.263 . . . . 0.0 108.019 -177.045 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.904 0 CA-C-N 121.04 1.746 . . . . 0.0 112.628 -178.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.177 0 CA-C-N 114.237 -1.347 . . . . 0.0 110.912 -178.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.195 0 C-N-CA 127.013 2.125 . . . . 0.0 110.288 -177.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.256 1.44 0 O-C-N 120.914 -1.116 . . . . 0.0 109.818 -179.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.26 1.616 0 N-CA-C 105.928 -1.878 . . . . 0.0 105.928 -177.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 127.099 2.75 . . . . 0.0 107.848 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.57 1.75 0 CA-C-O 115.422 -2.227 . . . . 0.0 106.465 178.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.553 1 O-C-N 130.656 4.973 . . . . 0.0 106.319 177.248 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.154 0 CA-C-O 113.72 -3.038 . . . . 0.0 105.873 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-N 121.122 1.783 . . . . 0.0 110.04 -177.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 125.855 1.972 . . . . 0.0 105.785 -176.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.349 0 O-C-N 127.552 3.033 . . . . 0.0 112.765 -176.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.95 0 O-C-N 127.262 2.851 . . . . 0.0 112.255 177.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.314 -0.942 0 O-C-N 119.06 -2.275 . . . . 0.0 111.888 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--O 1.224 -0.24 0 O-C-N 126.647 2.467 . . . . 0.0 109.717 -174.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.325 -0.709 0 C-N-CA 124.665 3.577 . . . . 0.0 111.884 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.477 0.876 0 CA-C-N 111.73 -2.486 . . . . 0.0 106.713 179.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.246 0 O-C-N 127.597 3.42 . . . . 0.0 107.934 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.537 0 C-N-CA 121.869 1.712 . . . . 0.0 108.31 178.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.428 -1.572 0 O-C-N 127.028 2.705 . . . . 0.0 112.16 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.998 0 C-N-CA 126.773 2.029 . . . . 0.0 114.923 -174.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.698 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 175.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 124.917 1.385 . . . . 0.0 113.671 -175.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.257 1.47 0 CA-C-O 117.395 -1.288 . . . . 0.0 112.738 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.328 0 CA-C-N 121.806 2.094 . . . . 0.0 114.926 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.449 0 C-N-CA 122.185 1.923 . . . . 0.0 113.292 178.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.292 -1.895 0 C-N-CA 129.783 3.233 . . . . 0.0 112.252 178.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.052 0 O-C-N 119.484 -2.01 . . . . 0.0 109.529 178.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.352 0 CA-C-O 115.599 -2.144 . . . . 0.0 109.234 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 127.399 2.937 . . . . 0.0 109.355 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.218 0 O-C-N 120.288 -1.508 . . . . 0.0 112.847 177.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-O 122.027 0.917 . . . . 0.0 113.36 178.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.255 0 C-N-CA 126.463 1.905 . . . . 0.0 109.25 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.788 0 O-C-N 125.107 1.504 . . . . 0.0 110.262 175.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.271 2.201 0 C-N-CA 127.062 2.145 . . . . 0.0 114.564 178.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.008 0 CA-C-O 117.096 -1.947 . . . . 0.0 112.392 178.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 118.119 0.96 . . . . 0.0 108.508 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 176.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.967 0 C-N-CA 123.943 0.897 . . . . 0.0 112.817 -179.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.256 1.447 0 N-CA-C 114.963 1.468 . . . . 0.0 114.963 -175.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.076 0 C-N-CA 125.024 1.33 . . . . 0.0 108.126 175.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 177.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.961 0 CA-C-N 114.329 -1.305 . . . . 0.0 110.109 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-O 115.987 -1.958 . . . . 0.0 112.302 178.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.561 0 N-CA-C 116.539 2.051 . . . . 0.0 116.539 -174.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.582 0 CA-C-O 122.765 1.269 . . . . 0.0 112.27 -178.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 122.387 2.058 . . . . 0.0 115.138 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 177.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.398 0 N-CA-C 115.2 1.556 . . . . 0.0 115.2 178.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.119 0 O-C-N 118.342 -2.723 . . . . 0.0 114.646 -179.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.255 1.346 0 N-CA-C 115.943 1.831 . . . . 0.0 115.943 179.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.051 0 CA-C-N 120.294 1.141 . . . . 0.0 114.876 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.261 1.025 . . . . 0.0 112.041 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 O-C-N 125.063 1.477 . . . . 0.0 111.462 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.3 0 N-CA-C 116.922 2.193 . . . . 0.0 116.922 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 127.67 2.388 . . . . 0.0 115.545 -178.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.246 0.869 0 N-CA-C 117.097 2.258 . . . . 0.0 117.097 -178.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.482 -1.98 0 CA-C-O 115.647 -2.751 . . . . 0.0 118.802 177.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.29 -2.007 0 CA-C-N 124.177 3.988 . . . . 0.0 111.313 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-O 115.636 -2.126 . . . . 0.0 106.268 177.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.511 0 O-C-N 125.509 1.756 . . . . 0.0 107.628 -178.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.468 0 O-C-N 125.796 1.935 . . . . 0.0 111.457 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-O 122.085 0.945 . . . . 0.0 110.705 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.073 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 2.0 0 O-C-N 126.063 2.102 . . . . 0.0 116.15 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.772 0 CA-C-O 117.973 -1.013 . . . . 0.0 112.613 -178.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 1.977 0 N-CA-C 107.84 -2.104 . . . . 0.0 107.84 -178.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 125.304 2.478 . . . . 0.0 112.703 -177.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.837 0 CA-C-N 110.884 -2.871 . . . . 0.0 110.412 179.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -0.986 0 O-C-N 126.456 2.348 . . . . 0.0 105.414 176.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.386 0 N-CA-C 117.79 2.515 . . . . 0.0 117.79 -176.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 178.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 103.793 -2.669 . . . . 0.0 103.793 177.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 CA-C-N 112.02 -2.355 . . . . 0.0 108.046 -179.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.254 1.379 0 N-CA-C 118.562 2.185 . . . . 0.0 118.562 -178.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.684 0 O-C-N 121.409 -1.053 . . . . 0.0 112.277 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.64 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -177.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-O 124.24 1.972 . . . . 0.0 110.056 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.247 0.922 0 CA-C-N 113.433 -1.712 . . . . 0.0 108.414 -178.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.463 0.451 0 CA-C-N 114.071 -1.422 . . . . 0.0 110.205 179.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 124.854 0.973 . . . . 0.0 110.023 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.986 0 CA-C-N 114.354 -1.294 . . . . 0.0 109.32 179.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.484 1.235 0 O-C-N 124.55 1.156 . . . . 0.0 110.207 178.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.842 0 N-CA-C 119.073 2.389 . . . . 0.0 119.073 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.822 0 O-C-N 120.872 -1.369 . . . . 0.0 109.102 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 178.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.891 0 O-C-N 125.695 1.872 . . . . 0.0 110.282 179.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.378 0.608 . . . . 0.0 111.878 -179.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 115.703 -2.094 . . . . 0.0 108.791 -177.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.895 0 O-C-N 127.302 2.876 . . . . 0.0 110.352 178.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 117.704 -1.141 . . . . 0.0 109.621 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 O-C-N 128.125 3.391 . . . . 0.0 112.811 -177.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.252 1.228 0 O-C-N 125.147 1.529 . . . . 0.0 111.778 -178.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 123.855 0.862 . . . . 0.0 110.186 178.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.965 0 N-CA-C 118.056 2.613 . . . . 0.0 118.056 175.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.064 0 C-N-CA 124.11 0.964 . . . . 0.0 109.078 177.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 127.406 2.941 . . . . 0.0 111.36 -177.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 130.06 3.344 . . . . 0.0 108.995 178.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.954 0 O-C-N 126.803 2.564 . . . . 0.0 113.785 -178.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 115.251 1.574 . . . . 0.0 115.251 -178.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 124.667 1.229 . . . . 0.0 109.99 178.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.303 -1.422 0 C-N-CA 123.999 0.92 . . . . 0.0 109.192 179.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.317 -0.842 0 C-N-CA 123.459 0.704 . . . . 0.0 112.734 -178.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-O 116.994 -1.479 . . . . 0.0 111.006 -177.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 CA-C-O 116.829 -1.557 . . . . 0.0 110.707 -176.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.18 0 CA-C-N 119.51 1.05 . . . . 0.0 112.874 -178.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 124.951 1.3 . . . . 0.0 111.659 -178.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 125.032 1.458 . . . . 0.0 108.274 -179.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 126.562 2.414 . . . . 0.0 111.646 -178.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.023 0 C-N-CA 120.178 -0.609 . . . . 0.0 110.486 177.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.728 0 N-CA-C 114.314 1.227 . . . . 0.0 114.314 -177.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.3 -1.549 0 C-N-CA 125.696 1.598 . . . . 0.0 111.293 177.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.466 0.691 0 O-C-N 121.341 -0.849 . . . . 0.0 114.213 -179.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.633 0 N-CA-C 113.28 0.845 . . . . 0.0 113.28 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.653 0 O-C-N 119.816 -1.803 . . . . 0.0 109.656 -179.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.442 -0.87 0 N-CA-C 116.363 1.986 . . . . 0.0 116.363 -177.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 125.222 1.576 . . . . 0.0 110.304 -176.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 112.535 -2.121 . . . . 0.0 108.253 176.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 N-CA-C 104.48 -2.415 . . . . 0.0 104.48 178.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 125.338 1.649 . . . . 0.0 108.322 -177.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.288 0 O-C-N 125.87 1.981 . . . . 0.0 110.92 -175.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.471 0 O-C-N 126.266 2.719 . . . . 0.0 115.029 -176.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.518 0 O-C-N 120.385 -1.447 . . . . 0.0 113.822 177.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.254 1.338 0 N-CA-C 115.59 1.7 . . . . 0.0 115.59 -176.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.263 1.807 0 CA-C-O 115.058 -2.401 . . . . 0.0 112.788 -178.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.616 0 CA-C-N 120.898 1.681 . . . . 0.0 114.866 -178.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.062 0 C-N-CA 127.006 2.123 . . . . 0.0 111.173 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 126.242 2.214 . . . . 0.0 110.425 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 125.397 1.479 . . . . 0.0 107.029 177.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.714 0 C-N-CA 126.561 1.944 . . . . 0.0 112.586 179.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.15 0 CA-C-N 113.192 -1.822 . . . . 0.0 111.417 -177.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.127 0 C-N-CA 123.827 0.851 . . . . 0.0 113.147 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 104.172 -2.529 . . . . 0.0 104.172 177.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 104.89 -2.263 . . . . 0.0 104.89 178.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 128.483 3.615 . . . . 0.0 117.009 -175.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.297 0 N-CA-C 105.286 -3.126 . . . . 0.0 105.286 177.051 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.273 2.33 0 O-C-N 128.476 3.104 . . . . 0.0 106.529 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.845 0 C-N-CA 118.921 -1.112 . . . . 0.0 112.709 -177.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.759 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 177.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.838 0 CA-C-O 122.462 1.125 . . . . 0.0 108.08 176.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.285 0 C-N-CA 121.491 1.46 . . . . 0.0 111.88 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 176.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 105.326 -2.101 . . . . 0.0 105.326 177.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 122.78 1.276 . . . . 0.0 110.063 -176.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.199 0 CA-C-N 112.676 -2.056 . . . . 0.0 112.767 179.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.232 0 CA-C-N 118.172 0.986 . . . . 0.0 110.708 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.951 0 O-C-N 123.54 1.284 . . . . 0.0 111.647 177.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 103.168 -2.901 . . . . 0.0 103.168 178.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.306 -1.306 0 O-C-N 126.873 2.608 . . . . 0.0 112.237 -178.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.713 0 N-CA-C 107.588 -1.736 . . . . 0.0 107.588 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.29 -1.989 0 O-C-N 128.084 3.365 . . . . 0.0 102.965 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.266 1.963 0 CA-C-O 116.028 -1.939 . . . . 0.0 108.803 -179.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.81 0 N-CA-C 104.056 -3.618 . . . . 0.0 104.056 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.259 1.56 0 CA-C-O 115.631 -2.128 . . . . 0.0 109.477 -178.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.732 0 N-CA-C 103.706 -2.702 . . . . 0.0 103.706 -179.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.498 -1.048 0 O-C-N 127.768 3.167 . . . . 0.0 113.539 -177.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 106.329 -1.73 . . . . 0.0 106.329 -178.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.955 0 O-C-N 126.278 2.236 . . . . 0.0 107.619 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.346 -2.267 . . . . 0.0 110.271 -177.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--N 1.302 -1.491 1 O-C-N 115.669 -4.394 . . . . 0.0 100.622 -167.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.283 0 CA-C-O 115.253 -2.061 . . . . 0.0 112.086 176.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.272 -2.797 0 CA-C-N 120.716 1.598 . . . . 0.0 109.566 177.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.276 2.451 0 CA-C-N 112.851 -1.977 . . . . 0.0 110.594 178.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.292 0 O-C-N 120.907 -1.121 . . . . 0.0 110.443 178.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.556 1.188 0 O-C-N 125.798 1.936 . . . . 0.0 110.248 -178.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.289 -2.056 0 O-C-N 127.067 2.729 . . . . 0.0 107.06 178.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.484 -1.571 0 CA-C-O 122.209 1.004 . . . . 0.0 112.904 177.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.89 0 O-C-N 117.516 -3.24 . . . . 0.0 114.556 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.815 0 O-C-N 125.617 1.823 . . . . 0.0 108.142 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.573 1 O-C-N 129.277 4.11 . . . . 0.0 109.794 179.179 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 120.026 -1.672 . . . . 0.0 111.874 179.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 125.097 1.359 . . . . 0.0 112.797 178.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.038 0 C-N-CA 127.986 2.708 . . . . 0.0 114.298 -178.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.287 0 C-N-CA 128.29 2.636 . . . . 0.0 111.474 -178.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 C-N-CA 117.565 -1.654 . . . . 0.0 107.431 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.092 0 CA-C-O 117.242 -1.361 . . . . 0.0 109.006 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.304 0 C-N-CA 122.837 2.358 . . . . 0.0 111.768 178.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 0.993 0 O-C-N 118.686 -2.509 . . . . 0.0 115.728 -177.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.03 0 C-N-CA 126.598 1.959 . . . . 0.0 110.933 176.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.926 0 C-N-CA 123.401 2.734 . . . . 0.0 115.484 178.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-N 121.304 1.865 . . . . 0.0 113.398 178.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 125.006 1.322 . . . . 0.0 107.996 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.836 0 C-N-CA 119.043 -1.063 . . . . 0.0 109.776 179.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.569 -0.707 . . . . 0.0 109.329 179.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-N 114.256 -1.338 . . . . 0.0 109.766 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 119.576 1.08 . . . . 0.0 111.95 -177.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-O 117.069 -1.443 . . . . 0.0 111.841 -178.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 -178.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.256 1.447 0 CA-C-N 114.596 -1.183 . . . . 0.0 109.202 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-O 124.888 2.28 . . . . 0.0 109.419 178.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.027 0 CA-C-N 112.762 -2.017 . . . . 0.0 111.328 178.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.756 0 CA-C-N 121.143 1.792 . . . . 0.0 112.706 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.253 1.243 0 CA-C-O 118.427 -0.797 . . . . 0.0 112.256 -176.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 O-C-N 124.122 0.889 . . . . 0.0 109.09 -179.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-O 115.288 -2.291 . . . . 0.0 110.932 -178.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.203 0 O-C-N 127.535 3.022 . . . . 0.0 111.025 179.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.786 0 C-N-CA 127.378 2.271 . . . . 0.0 113.745 -177.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 125.966 2.041 . . . . 0.0 112.157 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.367 0 CA-C-N 121.33 1.877 . . . . 0.0 114.815 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.576 0 C-N-CA 124.771 1.229 . . . . 0.0 111.371 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 178.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 107.267 -1.382 . . . . 0.0 107.267 178.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 O-C-N 124.843 1.34 . . . . 0.0 110.027 -178.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 113.65 -1.614 . . . . 0.0 111.075 178.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.302 -1.476 0 C-N-CA 127.112 2.165 . . . . 0.0 112.524 -178.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 113.686 -1.597 . . . . 0.0 111.958 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-O 116.764 -1.589 . . . . 0.0 111.698 -178.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 126.563 2.414 . . . . 0.0 107.534 178.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 126.46 1.904 . . . . 0.0 113.097 179.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.636 -179.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.195 0 O-C-N 124.408 1.068 . . . . 0.0 108.18 178.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 116.546 -1.692 . . . . 0.0 112.077 179.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.506 0 N-CA-C 115.929 1.826 . . . . 0.0 115.929 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 O-C-N 124.498 1.124 . . . . 0.0 111.108 -177.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.133 0 O-C-N 125.489 1.743 . . . . 0.0 111.363 -178.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.071 0 C-N-CA 127.234 2.214 . . . . 0.0 107.489 179.115 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 500' ' ' MXT . . . . . 0.451 H221 ' O12' ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 600' ' ' MXT . . . . . 0.75 H231 ' O12' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.634 ' C ' H111 ' A' ' 500' ' ' MXT . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 1.104 ' N ' H111 ' A' ' 500' ' ' MXT . 22.6 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.928 ' N ' ' O12' ' A' ' 500' ' ' MXT . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.506 2.34 0 O-C-N 125.664 1.852 . . . . 0.0 106.851 169.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.749 1 O-C-N 129.189 4.257 . . . . 0.0 107.965 -175.336 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.926 0 CA-C-N 120.999 1.727 . . . . 0.0 112.613 -178.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.502 2.154 0 CA-C-N 114.204 -1.362 . . . . 0.0 110.956 -175.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.185 0 C-N-CA 126.982 2.113 . . . . 0.0 110.239 -176.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.485 0 O-C-N 120.842 -1.161 . . . . 0.0 109.873 -179.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.58 0 N-CA-C 105.946 -1.872 . . . . 0.0 105.946 -177.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 127.129 2.768 . . . . 0.0 107.823 178.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.572 1.792 0 CA-C-O 115.442 -2.218 . . . . 0.0 106.394 178.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.533 1 O-C-N 130.681 4.988 . . . . 0.0 106.316 177.064 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.135 0 CA-C-O 113.758 -3.02 . . . . 0.0 105.863 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.432 0 CA-C-N 121.14 1.791 . . . . 0.0 110.041 -177.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.294 -1.805 0 O-C-N 125.937 2.023 . . . . 0.0 105.807 -176.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.343 0 O-C-N 127.521 3.013 . . . . 0.0 112.748 -176.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.96 0 O-C-N 127.247 2.842 . . . . 0.0 112.286 177.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.925 0 O-C-N 119.094 -2.254 . . . . 0.0 111.896 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--O 1.225 -0.209 0 O-C-N 126.662 2.477 . . . . 0.0 109.684 -174.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.325 -0.702 0 C-N-CA 124.598 3.532 . . . . 0.0 111.995 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.844 0 CA-C-N 111.715 -2.493 . . . . 0.0 106.768 179.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.315 -1.215 0 O-C-N 127.476 3.356 . . . . 0.0 107.91 179.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.541 0 O-C-N 124.332 1.701 . . . . 0.0 108.347 178.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.612 0 O-C-N 127.032 2.708 . . . . 0.0 112.149 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.289 -2.022 0 C-N-CA 126.735 2.014 . . . . 0.0 114.913 -174.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.711 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 175.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 124.913 1.383 . . . . 0.0 113.615 -175.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.257 1.468 0 CA-C-O 117.394 -1.289 . . . . 0.0 112.761 -179.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.29 0 CA-C-N 121.772 2.078 . . . . 0.0 114.898 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.484 0 C-N-CA 122.203 1.935 . . . . 0.0 113.298 178.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.904 0 C-N-CA 129.796 3.238 . . . . 0.0 112.252 178.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.055 0 O-C-N 119.417 -2.052 . . . . 0.0 109.525 178.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.341 0 CA-C-O 115.63 -2.129 . . . . 0.0 109.255 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 127.4 2.937 . . . . 0.0 109.388 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.253 1.239 0 O-C-N 120.301 -1.499 . . . . 0.0 112.913 177.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-O 122.033 0.92 . . . . 0.0 113.343 179.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.269 0 C-N-CA 126.469 1.908 . . . . 0.0 109.295 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 125.128 1.517 . . . . 0.0 110.246 175.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.158 0 C-N-CA 127.072 2.149 . . . . 0.0 114.552 178.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 1.998 0 CA-C-O 117.097 -1.946 . . . . 0.0 112.35 178.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 118.129 0.964 . . . . 0.0 108.465 179.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 176.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.935 0 C-N-CA 123.951 0.9 . . . . 0.0 112.872 -179.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.466 0 N-CA-C 115.022 1.49 . . . . 0.0 115.022 -175.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.31 -1.139 0 C-N-CA 124.982 1.313 . . . . 0.0 108.07 175.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 177.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.955 0 CA-C-N 114.291 -1.322 . . . . 0.0 110.107 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-O 116.008 -1.949 . . . . 0.0 112.315 178.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.278 -2.527 0 N-CA-C 116.565 2.061 . . . . 0.0 116.565 -174.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.593 0 CA-C-O 122.794 1.283 . . . . 0.0 112.292 -178.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.448 -1.206 0 C-N-CA 122.389 2.06 . . . . 0.0 115.092 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.686 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 177.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.434 0 N-CA-C 115.162 1.542 . . . . 0.0 115.162 178.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.107 0 O-C-N 118.314 -2.741 . . . . 0.0 114.627 -179.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.302 0 N-CA-C 115.919 1.822 . . . . 0.0 115.919 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.045 0 CA-C-N 120.285 1.138 . . . . 0.0 114.861 -179.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.268 1.027 . . . . 0.0 112.036 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 O-C-N 125.103 1.502 . . . . 0.0 111.475 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.255 1.372 0 N-CA-C 116.911 2.189 . . . . 0.0 116.911 179.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 127.634 2.374 . . . . 0.0 115.558 -178.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.836 0 N-CA-C 117.143 2.275 . . . . 0.0 117.143 -178.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.063 0 CA-C-O 115.684 -2.731 . . . . 0.0 118.833 177.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.941 1 CA-C-N 124.202 4.001 . . . . 0.0 111.375 179.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.483 1.201 0 CA-C-O 115.686 -2.102 . . . . 0.0 106.233 177.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.508 0 O-C-N 125.418 1.699 . . . . 0.0 107.621 -178.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.491 0 O-C-N 125.762 1.914 . . . . 0.0 111.512 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-O 122.118 0.961 . . . . 0.0 110.721 179.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.25 1.102 0 N-CA-C 106.754 -1.573 . . . . 0.0 106.754 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.266 1.95 0 O-C-N 126.057 2.098 . . . . 0.0 116.208 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.797 0 CA-C-O 117.929 -1.034 . . . . 0.0 112.579 -178.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 1.983 0 N-CA-C 107.817 -2.113 . . . . 0.0 107.817 -178.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 125.324 2.488 . . . . 0.0 112.67 -177.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.837 0 CA-C-N 110.876 -2.875 . . . . 0.0 110.444 179.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -1.01 0 O-C-N 126.39 2.306 . . . . 0.0 105.462 176.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.401 0 N-CA-C 117.765 2.506 . . . . 0.0 117.765 -176.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 178.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 103.772 -2.677 . . . . 0.0 103.772 177.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 CA-C-N 111.966 -2.379 . . . . 0.0 107.994 -179.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.298 0 N-CA-C 118.546 2.178 . . . . 0.0 118.546 -178.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.671 0 O-C-N 121.493 -1.004 . . . . 0.0 112.226 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.606 0 O-C-N 123.682 0.614 . . . . 0.0 112.624 -177.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.834 0 CA-C-O 124.233 1.968 . . . . 0.0 110.068 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.895 0 CA-C-N 113.456 -1.702 . . . . 0.0 108.358 -178.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 C--N 1.318 -0.459 0 CA-C-N 114.03 -1.441 . . . . 0.0 110.135 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 124.83 0.959 . . . . 0.0 109.978 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.994 0 CA-C-N 114.364 -1.289 . . . . 0.0 109.324 179.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.484 1.246 0 O-C-N 124.551 1.157 . . . . 0.0 110.22 178.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.839 0 N-CA-C 119.057 2.383 . . . . 0.0 119.057 -179.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.214 -0.811 0 O-C-N 120.842 -1.387 . . . . 0.0 109.107 179.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.307 -1.278 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 178.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.894 0 O-C-N 125.672 1.857 . . . . 0.0 110.282 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.346 0.593 . . . . 0.0 111.875 -179.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 115.728 -2.082 . . . . 0.0 108.81 -177.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.293 -1.885 0 O-C-N 127.248 2.843 . . . . 0.0 110.362 178.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 117.645 -1.169 . . . . 0.0 109.575 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 O-C-N 128.125 3.391 . . . . 0.0 112.817 -177.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.274 0 O-C-N 125.113 1.508 . . . . 0.0 111.737 -178.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 123.903 0.881 . . . . 0.0 110.179 178.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.967 0 N-CA-C 118.039 2.607 . . . . 0.0 118.039 175.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.054 0 C-N-CA 124.119 0.968 . . . . 0.0 109.091 177.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 127.407 2.942 . . . . 0.0 111.371 -177.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.391 0 C-N-CA 130.005 3.322 . . . . 0.0 109.015 178.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.925 0 O-C-N 126.713 2.508 . . . . 0.0 113.78 -178.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 115.276 1.584 . . . . 0.0 115.276 -178.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 124.744 1.278 . . . . 0.0 109.96 178.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.386 0 C-N-CA 123.998 0.919 . . . . 0.0 109.163 179.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.315 -0.907 0 C-N-CA 123.47 0.708 . . . . 0.0 112.7 -178.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-O 116.984 -1.484 . . . . 0.0 110.973 -177.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.673 0 CA-C-O 116.731 -1.604 . . . . 0.0 110.658 -176.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.149 0 CA-C-N 119.543 1.065 . . . . 0.0 112.816 -178.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.431 -1.39 0 C-N-CA 124.956 1.302 . . . . 0.0 111.672 -178.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 124.992 1.433 . . . . 0.0 108.265 -179.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 126.575 2.422 . . . . 0.0 111.581 -178.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.014 0 C-N-CA 120.167 -0.613 . . . . 0.0 110.531 177.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 -177.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 125.661 1.584 . . . . 0.0 111.256 177.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.466 0.664 0 O-C-N 121.321 -0.862 . . . . 0.0 114.23 -179.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.508 -0.643 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 179.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 119.764 -1.835 . . . . 0.0 109.647 -179.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 116.396 1.999 . . . . 0.0 116.396 -176.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 125.217 1.573 . . . . 0.0 110.296 -176.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 112.517 -2.129 . . . . 0.0 108.3 176.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 N-CA-C 104.567 -2.383 . . . . 0.0 104.567 178.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 125.336 1.647 . . . . 0.0 108.281 -177.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.302 -1.306 0 O-C-N 125.926 2.016 . . . . 0.0 110.969 -175.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.474 0 O-C-N 126.252 2.711 . . . . 0.0 115.055 -176.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 120.442 -1.411 . . . . 0.0 113.842 177.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.256 1.41 0 N-CA-C 115.576 1.695 . . . . 0.0 115.576 -176.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.263 1.791 0 CA-C-O 115.084 -2.388 . . . . 0.0 112.761 -178.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.632 0 CA-C-N 120.915 1.689 . . . . 0.0 114.827 -178.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.063 0 C-N-CA 127.001 2.12 . . . . 0.0 111.208 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 O-C-N 126.203 2.19 . . . . 0.0 110.478 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 177.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.744 0 C-N-CA 126.612 1.965 . . . . 0.0 112.62 178.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.149 0 CA-C-N 113.171 -1.831 . . . . 0.0 111.447 -177.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.135 0 C-N-CA 123.813 0.845 . . . . 0.0 113.171 -179.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 104.206 -2.516 . . . . 0.0 104.206 177.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 104.832 -2.284 . . . . 0.0 104.832 178.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 128.508 3.63 . . . . 0.0 116.954 -175.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.34 0 N-CA-C 105.301 -3.119 . . . . 0.0 105.301 177.085 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.362 0 O-C-N 128.488 3.111 . . . . 0.0 106.498 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.829 0 C-N-CA 118.978 -1.089 . . . . 0.0 112.728 -177.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.746 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 177.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.834 0 CA-C-O 122.409 1.1 . . . . 0.0 108.155 176.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.313 0 C-N-CA 121.463 1.442 . . . . 0.0 111.903 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 177.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 105.369 -2.086 . . . . 0.0 105.369 177.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 122.813 1.292 . . . . 0.0 110.118 -176.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.25 1.122 0 CA-C-N 112.671 -2.059 . . . . 0.0 112.78 -179.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.216 0 CA-C-N 118.159 0.979 . . . . 0.0 110.723 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.453 -0.895 0 O-C-N 123.539 1.284 . . . . 0.0 111.644 177.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 103.193 -2.892 . . . . 0.0 103.193 177.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.357 0 O-C-N 126.874 2.609 . . . . 0.0 112.254 -177.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.69 0 N-CA-C 107.585 -1.736 . . . . 0.0 107.585 176.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.94 0 O-C-N 128.109 3.38 . . . . 0.0 102.99 -178.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.266 1.947 0 CA-C-O 116.024 -1.941 . . . . 0.0 108.802 178.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.839 0 N-CA-C 104.081 -3.608 . . . . 0.0 104.081 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.521 0 CA-C-O 115.672 -2.109 . . . . 0.0 109.481 -172.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.737 0 N-CA-C 103.682 -2.71 . . . . 0.0 103.682 178.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.087 0 O-C-N 127.755 3.159 . . . . 0.0 113.517 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 106.324 -1.732 . . . . 0.0 106.324 -178.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.92 0 O-C-N 126.246 2.216 . . . . 0.0 107.643 -179.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.53 -2.159 . . . . 0.0 110.271 -178.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.3 0 N-CA-C 100.587 -3.857 . . . . 0.0 100.587 -177.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.305 0 CA-C-O 115.201 -2.083 . . . . 0.0 112.113 178.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.825 0 CA-C-N 120.68 1.582 . . . . 0.0 109.553 177.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.397 0 CA-C-N 112.813 -1.994 . . . . 0.0 110.642 178.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.295 0 O-C-N 120.949 -1.094 . . . . 0.0 110.403 178.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.158 0 O-C-N 125.817 1.948 . . . . 0.0 110.278 -178.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.289 -2.061 0 O-C-N 127.012 2.695 . . . . 0.0 107.033 178.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.605 0 CA-C-O 122.246 1.022 . . . . 0.0 112.942 177.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.442 -0.857 0 O-C-N 117.444 -3.285 . . . . 0.0 114.565 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.573 1.831 0 O-C-N 125.624 1.827 . . . . 0.0 108.094 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.299 -1.595 1 O-C-N 129.279 4.112 . . . . 0.0 109.763 179.184 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 120.051 -1.656 . . . . 0.0 111.835 179.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 125.12 1.368 . . . . 0.0 112.748 178.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.29 -2.006 0 C-N-CA 127.977 2.703 . . . . 0.0 114.329 -177.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.281 0 C-N-CA 128.268 2.627 . . . . 0.0 111.491 -178.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 C-N-CA 117.537 -1.665 . . . . 0.0 107.402 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.287 -2.118 0 CA-C-O 117.311 -1.328 . . . . 0.0 108.98 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.298 0 C-N-CA 122.904 2.402 . . . . 0.0 111.76 178.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 0.997 0 O-C-N 118.625 -2.547 . . . . 0.0 115.68 -178.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.056 0 C-N-CA 126.632 1.973 . . . . 0.0 110.936 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.941 0 C-N-CA 123.404 2.736 . . . . 0.0 115.519 179.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-N 121.294 1.861 . . . . 0.0 113.414 178.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 124.941 1.297 . . . . 0.0 108.073 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.86 0 C-N-CA 118.991 -1.083 . . . . 0.0 109.769 179.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.531 -0.731 . . . . 0.0 109.281 179.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 C--O 1.244 0.773 0 CA-C-N 114.281 -1.327 . . . . 0.0 109.726 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 119.625 1.102 . . . . 0.0 111.945 -177.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 117.067 -1.445 . . . . 0.0 111.829 -177.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 115.032 1.493 . . . . 0.0 115.032 -178.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.457 0 CA-C-N 114.587 -1.188 . . . . 0.0 109.17 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-O 124.876 2.274 . . . . 0.0 109.435 178.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.044 0 CA-C-N 112.705 -2.043 . . . . 0.0 111.325 178.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-N 121.088 1.767 . . . . 0.0 112.745 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.253 1.258 0 CA-C-O 118.455 -0.783 . . . . 0.0 112.268 -176.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 O-C-N 124.108 0.88 . . . . 0.0 109.124 -179.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-O 115.209 -2.329 . . . . 0.0 110.894 -178.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.215 0 O-C-N 127.562 3.039 . . . . 0.0 111.082 178.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.296 -1.748 0 C-N-CA 127.409 2.284 . . . . 0.0 113.769 -177.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 126.005 2.066 . . . . 0.0 112.176 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.39 0 CA-C-N 121.318 1.872 . . . . 0.0 114.781 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.557 0 C-N-CA 124.827 1.251 . . . . 0.0 111.408 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 178.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.307 -1.264 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 178.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 O-C-N 124.805 1.316 . . . . 0.0 110.04 -178.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 113.643 -1.617 . . . . 0.0 111.02 178.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.509 0 C-N-CA 127.129 2.172 . . . . 0.0 112.557 -178.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 113.683 -1.599 . . . . 0.0 111.988 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.685 0 CA-C-O 116.755 -1.593 . . . . 0.0 111.667 -178.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 126.52 2.387 . . . . 0.0 107.552 178.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.035 0 C-N-CA 126.369 1.868 . . . . 0.0 113.17 179.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.613 -179.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.184 0 O-C-N 124.459 1.1 . . . . 0.0 108.214 178.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-O 116.611 -1.662 . . . . 0.0 112.1 179.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.257 1.488 0 N-CA-C 115.905 1.817 . . . . 0.0 115.905 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 O-C-N 124.53 1.144 . . . . 0.0 111.175 -177.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.112 0 O-C-N 125.481 1.738 . . . . 0.0 111.374 -178.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.084 0 C-N-CA 127.318 2.247 . . . . 0.0 107.411 179.125 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 500' ' ' MXT . . . . . 1.104 H111 ' N ' ' A' ' 41' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 600' ' ' MXT . . . . . 0.873 ' O11' H231 ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.471 ' HA ' H121 ' A' ' 500' ' ' MXT . 1.7 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.506 2.328 0 O-C-N 125.664 1.852 . . . . 0.0 106.849 167.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.711 1 O-C-N 129.185 4.255 . . . . 0.0 107.992 -172.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.937 0 CA-C-N 121.023 1.738 . . . . 0.0 112.608 -178.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.178 0 CA-C-N 114.277 -1.329 . . . . 0.0 110.915 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.206 0 C-N-CA 126.962 2.105 . . . . 0.0 110.239 -176.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.457 0 O-C-N 120.935 -1.103 . . . . 0.0 109.876 -172.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.559 0 N-CA-C 105.897 -1.89 . . . . 0.0 105.897 -177.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 127.154 2.784 . . . . 0.0 107.828 179.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.57 1.749 0 CA-C-O 115.425 -2.226 . . . . 0.0 106.468 -178.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.511 2.586 1 O-C-N 130.687 4.992 . . . . 0.0 106.327 173.071 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.138 0 CA-C-O 113.728 -3.034 . . . . 0.0 105.899 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-N 121.155 1.798 . . . . 0.0 110.048 -177.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 125.86 1.975 . . . . 0.0 105.765 -176.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.377 0 O-C-N 127.557 3.036 . . . . 0.0 112.74 -176.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.948 0 O-C-N 127.205 2.815 . . . . 0.0 112.231 177.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 122.175 2.261 . . . . 0.0 111.921 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--O 1.225 -0.221 0 O-C-N 126.636 2.46 . . . . 0.0 109.691 -174.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.722 0 C-N-CA 124.668 3.578 . . . . 0.0 111.963 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.845 0 CA-C-N 111.715 -2.493 . . . . 0.0 106.751 179.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.315 -1.233 0 O-C-N 127.504 3.37 . . . . 0.0 107.915 178.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.506 0 C-N-CA 121.861 1.707 . . . . 0.0 108.354 178.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.428 -1.559 0 O-C-N 127.104 2.752 . . . . 0.0 112.133 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -2.008 0 C-N-CA 126.746 2.018 . . . . 0.0 114.929 -174.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.57 1.728 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 175.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 124.93 1.394 . . . . 0.0 113.602 -175.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.41 0 CA-C-O 117.427 -1.273 . . . . 0.0 112.785 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.315 0 CA-C-N 121.716 2.053 . . . . 0.0 114.928 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.311 -1.442 0 C-N-CA 122.192 1.928 . . . . 0.0 113.302 178.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.293 -1.879 0 C-N-CA 129.821 3.248 . . . . 0.0 112.251 178.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.064 0 O-C-N 119.421 -2.049 . . . . 0.0 109.516 178.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.339 0 CA-C-O 115.601 -2.142 . . . . 0.0 109.204 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 127.364 2.915 . . . . 0.0 109.396 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.23 0 O-C-N 120.275 -1.516 . . . . 0.0 112.915 177.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 122.004 0.907 . . . . 0.0 113.336 179.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.27 0 C-N-CA 126.466 1.906 . . . . 0.0 109.313 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.296 -1.758 0 O-C-N 125.122 1.514 . . . . 0.0 110.256 175.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.133 0 C-N-CA 127.052 2.141 . . . . 0.0 114.576 178.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.004 0 CA-C-O 117.127 -1.929 . . . . 0.0 112.397 178.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 118.106 0.953 . . . . 0.0 108.487 179.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 176.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.959 0 C-N-CA 123.885 0.874 . . . . 0.0 112.875 -179.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.474 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 -175.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.31 -1.118 0 C-N-CA 125.025 1.33 . . . . 0.0 108.079 175.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 177.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.96 0 CA-C-N 114.334 -1.303 . . . . 0.0 110.06 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-O 116.03 -1.938 . . . . 0.0 112.33 178.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.556 0 N-CA-C 116.562 2.06 . . . . 0.0 116.562 -174.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.595 0 CA-C-O 122.71 1.243 . . . . 0.0 112.322 -178.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 122.388 2.058 . . . . 0.0 115.098 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 177.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.427 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 178.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.115 0 O-C-N 118.318 -2.739 . . . . 0.0 114.615 -179.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.337 0 N-CA-C 115.944 1.831 . . . . 0.0 115.944 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.042 0 CA-C-N 120.321 1.151 . . . . 0.0 114.859 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.295 1.038 . . . . 0.0 112.019 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 O-C-N 125.096 1.498 . . . . 0.0 111.501 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.255 1.348 0 N-CA-C 116.9 2.185 . . . . 0.0 116.9 179.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 127.639 2.376 . . . . 0.0 115.552 -178.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.866 0 N-CA-C 117.129 2.27 . . . . 0.0 117.129 -178.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.081 0 CA-C-O 115.723 -2.71 . . . . 0.0 118.905 177.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.951 0 CA-C-N 124.182 3.991 . . . . 0.0 111.363 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-O 115.632 -2.128 . . . . 0.0 106.266 177.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.302 -1.489 0 O-C-N 125.524 1.765 . . . . 0.0 107.68 -178.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.478 0 O-C-N 125.764 1.915 . . . . 0.0 111.491 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-O 122.051 0.929 . . . . 0.0 110.75 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.051 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.266 1.965 0 O-C-N 126.053 2.096 . . . . 0.0 116.2 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.773 0 CA-C-O 117.976 -1.011 . . . . 0.0 112.605 -178.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 1.968 0 N-CA-C 107.825 -2.11 . . . . 0.0 107.825 -178.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 125.303 2.477 . . . . 0.0 112.694 -177.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.86 0 CA-C-N 110.93 -2.85 . . . . 0.0 110.44 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.314 -0.975 0 O-C-N 126.372 2.295 . . . . 0.0 105.43 176.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.386 0 N-CA-C 117.838 2.533 . . . . 0.0 117.838 -176.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 178.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 103.815 -2.661 . . . . 0.0 103.815 177.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 CA-C-N 112.011 -2.359 . . . . 0.0 108.025 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.317 0 N-CA-C 118.547 2.179 . . . . 0.0 118.547 -178.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.704 0 O-C-N 121.483 -1.01 . . . . 0.0 112.285 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.661 0 N-CA-C 112.613 0.597 . . . . 0.0 112.613 -177.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.857 0 CA-C-O 124.228 1.966 . . . . 0.0 110.066 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.894 0 CA-C-N 113.439 -1.71 . . . . 0.0 108.394 -178.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 C--N 1.317 -0.477 0 CA-C-N 114.055 -1.43 . . . . 0.0 110.161 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 124.828 0.958 . . . . 0.0 110.048 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.998 0 CA-C-N 114.337 -1.301 . . . . 0.0 109.376 179.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.484 1.232 0 O-C-N 124.49 1.119 . . . . 0.0 110.155 178.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.837 0 N-CA-C 119.021 2.368 . . . . 0.0 119.021 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.832 0 O-C-N 120.898 -1.354 . . . . 0.0 109.077 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 107.082 -1.451 . . . . 0.0 107.082 178.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.916 0 O-C-N 125.637 1.836 . . . . 0.0 110.233 179.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.301 0.572 . . . . 0.0 111.894 -179.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 115.729 -2.081 . . . . 0.0 108.858 -177.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.903 0 O-C-N 127.266 2.854 . . . . 0.0 110.378 178.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 117.659 -1.162 . . . . 0.0 109.564 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 O-C-N 128.134 3.396 . . . . 0.0 112.792 -177.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.259 0 O-C-N 125.147 1.529 . . . . 0.0 111.756 -178.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 123.89 0.876 . . . . 0.0 110.202 178.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.968 0 N-CA-C 118.026 2.602 . . . . 0.0 118.026 175.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.062 0 C-N-CA 124.107 0.963 . . . . 0.0 109.065 177.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 127.431 2.957 . . . . 0.0 111.409 -177.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.383 0 C-N-CA 129.998 3.319 . . . . 0.0 108.966 178.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.246 0.913 0 O-C-N 126.779 2.55 . . . . 0.0 113.782 -178.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 115.297 1.591 . . . . 0.0 115.297 -178.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 124.733 1.271 . . . . 0.0 109.944 178.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.385 0 C-N-CA 124.026 0.93 . . . . 0.0 109.179 179.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.883 0 C-N-CA 123.472 0.709 . . . . 0.0 112.671 -178.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-O 116.986 -1.483 . . . . 0.0 110.984 -177.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 CA-C-O 116.789 -1.577 . . . . 0.0 110.675 -176.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.183 0 CA-C-N 119.563 1.074 . . . . 0.0 112.851 -178.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 124.974 1.309 . . . . 0.0 111.684 -178.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 125.017 1.448 . . . . 0.0 108.265 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 126.542 2.401 . . . . 0.0 111.586 -178.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.009 0 C-N-CA 120.188 -0.605 . . . . 0.0 110.511 177.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 114.352 1.241 . . . . 0.0 114.352 -177.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 125.634 1.574 . . . . 0.0 111.225 177.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.465 0.618 0 O-C-N 121.291 -0.881 . . . . 0.0 114.298 -179.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.616 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 179.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 119.822 -1.799 . . . . 0.0 109.668 -179.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.882 0 N-CA-C 116.372 1.99 . . . . 0.0 116.372 -176.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 125.31 1.631 . . . . 0.0 110.315 -176.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 112.556 -2.111 . . . . 0.0 108.292 176.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 N-CA-C 104.473 -2.418 . . . . 0.0 104.473 178.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 125.413 1.696 . . . . 0.0 108.33 -177.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.283 0 O-C-N 125.926 2.016 . . . . 0.0 110.995 -175.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.446 0 O-C-N 126.313 2.744 . . . . 0.0 115.044 -176.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.257 1.491 0 O-C-N 120.395 -1.44 . . . . 0.0 113.796 177.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.256 1.395 0 N-CA-C 115.592 1.701 . . . . 0.0 115.592 -176.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.264 1.827 0 CA-C-O 115.075 -2.393 . . . . 0.0 112.762 -178.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.638 0 CA-C-N 120.893 1.679 . . . . 0.0 114.833 -178.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.03 0 C-N-CA 127.038 2.135 . . . . 0.0 111.195 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 O-C-N 126.178 2.174 . . . . 0.0 110.457 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 125.363 1.465 . . . . 0.0 107.097 177.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.747 0 C-N-CA 126.559 1.944 . . . . 0.0 112.583 179.082 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.25 1.128 0 CA-C-N 113.204 -1.817 . . . . 0.0 111.468 -177.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.137 0 C-N-CA 123.789 0.835 . . . . 0.0 113.143 -179.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 104.119 -2.549 . . . . 0.0 104.119 177.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 104.839 -2.282 . . . . 0.0 104.839 178.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 128.51 3.631 . . . . 0.0 116.999 -175.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.584 4.376 0 N-CA-C 105.297 -3.121 . . . . 0.0 105.297 177.075 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.347 0 O-C-N 128.556 3.15 . . . . 0.0 106.499 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.829 0 C-N-CA 118.918 -1.113 . . . . 0.0 112.643 -177.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 177.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.828 0 CA-C-O 122.467 1.127 . . . . 0.0 108.083 176.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.298 0 C-N-CA 121.484 1.456 . . . . 0.0 111.92 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 177.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 105.349 -2.093 . . . . 0.0 105.349 177.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 122.803 1.287 . . . . 0.0 110.074 -176.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.185 0 CA-C-N 112.687 -2.051 . . . . 0.0 112.76 177.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.307 -1.244 0 CA-C-N 118.183 0.991 . . . . 0.0 110.769 179.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.451 -0.983 0 O-C-N 123.472 1.248 . . . . 0.0 111.654 177.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 103.153 -2.906 . . . . 0.0 103.153 179.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.306 -1.315 0 O-C-N 126.868 2.605 . . . . 0.0 112.199 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.702 0 N-CA-C 107.585 -1.737 . . . . 0.0 107.585 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.96 0 O-C-N 128.106 3.379 . . . . 0.0 102.971 178.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.99 0 CA-C-O 115.963 -1.97 . . . . 0.0 108.834 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.839 0 N-CA-C 104.079 -3.609 . . . . 0.0 104.079 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.506 0 CA-C-O 115.66 -2.114 . . . . 0.0 109.504 179.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.74 0 N-CA-C 103.666 -2.716 . . . . 0.0 103.666 -175.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.063 0 O-C-N 127.731 3.144 . . . . 0.0 113.515 -178.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 106.341 -1.725 . . . . 0.0 106.341 -178.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.927 0 O-C-N 126.298 2.248 . . . . 0.0 107.617 -178.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 120.652 -1.499 . . . . 0.0 110.271 179.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--N 1.303 -1.417 0 N-CA-C 100.626 -3.842 . . . . 0.0 100.626 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.305 0 CA-C-O 115.236 -2.068 . . . . 0.0 112.082 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.272 -2.777 0 CA-C-N 120.702 1.592 . . . . 0.0 109.535 177.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.276 2.464 0 CA-C-N 112.853 -1.976 . . . . 0.0 110.594 178.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.434 -1.273 0 O-C-N 120.956 -1.09 . . . . 0.0 110.406 178.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.163 0 O-C-N 125.796 1.935 . . . . 0.0 110.277 -178.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.289 -2.047 0 O-C-N 127.06 2.725 . . . . 0.0 107.049 178.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.484 -1.575 0 CA-C-O 122.18 0.99 . . . . 0.0 112.909 177.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.891 0 O-C-N 117.504 -3.248 . . . . 0.0 114.575 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.8 0 O-C-N 125.547 1.779 . . . . 0.0 108.169 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.299 -1.628 1 O-C-N 129.276 4.11 . . . . 0.0 109.748 179.165 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 120.037 -1.664 . . . . 0.0 111.853 179.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.513 0 C-N-CA 125.119 1.368 . . . . 0.0 112.802 178.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.073 0 C-N-CA 127.997 2.713 . . . . 0.0 114.336 -178.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.258 0 C-N-CA 128.257 2.623 . . . . 0.0 111.501 -179.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 C-N-CA 117.577 -1.649 . . . . 0.0 107.418 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.096 0 CA-C-O 117.261 -1.352 . . . . 0.0 109.013 -178.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.297 0 C-N-CA 122.875 2.383 . . . . 0.0 111.769 179.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.012 0 O-C-N 118.635 -2.541 . . . . 0.0 115.671 -178.399 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.065 0 C-N-CA 126.624 1.97 . . . . 0.0 110.892 174.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.506 -0.878 0 C-N-CA 123.452 2.768 . . . . 0.0 115.48 -176.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-N 121.276 1.853 . . . . 0.0 113.5 177.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 124.958 1.303 . . . . 0.0 108.04 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.832 0 C-N-CA 119.042 -1.063 . . . . 0.0 109.783 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.584 -0.697 . . . . 0.0 109.249 179.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 114.263 -1.335 . . . . 0.0 109.758 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-N 119.56 1.073 . . . . 0.0 111.944 -177.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-O 117.151 -1.404 . . . . 0.0 111.909 -178.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.256 1.444 0 CA-C-N 114.583 -1.19 . . . . 0.0 109.129 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-O 124.86 2.267 . . . . 0.0 109.43 178.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.041 0 CA-C-N 112.768 -2.015 . . . . 0.0 111.304 178.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.73 0 CA-C-N 121.147 1.794 . . . . 0.0 112.721 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.322 0 CA-C-O 118.478 -0.772 . . . . 0.0 112.268 -176.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 O-C-N 124.053 0.846 . . . . 0.0 109.091 -179.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-O 115.247 -2.311 . . . . 0.0 110.857 -178.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.309 -1.193 0 O-C-N 127.583 3.052 . . . . 0.0 111.032 179.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.792 0 C-N-CA 127.419 2.287 . . . . 0.0 113.727 -177.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 125.956 2.035 . . . . 0.0 112.188 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.255 1.41 0 CA-C-N 121.291 1.859 . . . . 0.0 114.809 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.578 0 C-N-CA 124.797 1.239 . . . . 0.0 111.4 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 178.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.307 -1.253 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 178.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 O-C-N 124.798 1.311 . . . . 0.0 110.058 -178.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-N 113.653 -1.612 . . . . 0.0 111.057 178.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 127.105 2.162 . . . . 0.0 112.496 -178.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 113.718 -1.583 . . . . 0.0 111.961 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 116.749 -1.596 . . . . 0.0 111.703 -178.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 126.535 2.397 . . . . 0.0 107.575 178.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.052 0 C-N-CA 126.429 1.892 . . . . 0.0 113.12 179.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.129 -0.942 . . . . 0.0 109.619 -179.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.174 0 O-C-N 124.464 1.103 . . . . 0.0 108.181 178.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-O 116.57 -1.681 . . . . 0.0 112.088 179.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.526 0 N-CA-C 115.916 1.821 . . . . 0.0 115.916 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.688 0 O-C-N 124.459 1.099 . . . . 0.0 111.147 -177.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.309 -1.158 0 O-C-N 125.515 1.759 . . . . 0.0 111.349 -178.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.074 0 C-N-CA 127.296 2.239 . . . . 0.0 107.431 179.119 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 500' ' ' MXT . . . . . 0.905 ' O11' H231 ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 600' ' ' MXT . . . . . 0.891 ' O11' H231 ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.705 ' O ' ' O11' ' A' ' 500' ' ' MXT . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.681 ' C ' ' C12' ' A' ' 500' ' ' MXT . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 1.277 ' N ' H122 ' A' ' 500' ' ' MXT . 1.3 m -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.876 ' H ' H121 ' A' ' 500' ' ' MXT . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.312 0 O-C-N 125.664 1.852 . . . . 0.0 106.842 166.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.754 1 O-C-N 129.18 4.253 . . . . 0.0 107.992 -174.254 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.91 0 CA-C-N 121.007 1.73 . . . . 0.0 112.597 -178.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.197 0 CA-C-N 114.228 -1.351 . . . . 0.0 110.898 -176.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.166 0 C-N-CA 126.956 2.103 . . . . 0.0 110.242 -177.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.453 0 O-C-N 120.857 -1.152 . . . . 0.0 109.807 177.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.26 1.609 0 N-CA-C 105.978 -1.86 . . . . 0.0 105.978 -176.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 127.141 2.776 . . . . 0.0 107.812 178.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.769 0 CA-C-O 115.449 -2.215 . . . . 0.0 106.413 178.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.544 1 O-C-N 130.689 4.993 . . . . 0.0 106.324 177.264 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.133 0 CA-C-O 113.7 -3.048 . . . . 0.0 105.883 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.46 0 CA-C-N 121.168 1.804 . . . . 0.0 110.041 -177.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.799 0 O-C-N 125.877 1.986 . . . . 0.0 105.79 -176.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.375 0 O-C-N 127.542 3.026 . . . . 0.0 112.724 -176.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.951 0 O-C-N 127.153 2.783 . . . . 0.0 112.263 177.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.314 -0.945 0 O-C-N 119.097 -2.252 . . . . 0.0 111.925 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.331 -0.198 0 O-C-N 126.625 2.453 . . . . 0.0 109.717 -174.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.325 -0.699 0 C-N-CA 124.664 3.576 . . . . 0.0 111.908 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.833 0 CA-C-N 111.747 -2.479 . . . . 0.0 106.786 179.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.273 0 O-C-N 127.52 3.379 . . . . 0.0 107.902 179.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.329 -0.49 0 CA-C-O 116.139 -1.692 . . . . 0.0 108.324 178.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.607 0 O-C-N 127.068 2.73 . . . . 0.0 112.152 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -2.0 0 C-N-CA 126.797 2.039 . . . . 0.0 114.862 -174.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.568 1.667 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 174.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.303 0 C-N-CA 125.071 1.348 . . . . 0.0 113.621 -175.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.257 1.46 0 CA-C-O 117.403 -1.284 . . . . 0.0 112.789 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.313 0 CA-C-N 121.779 2.082 . . . . 0.0 114.929 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.311 -1.442 0 C-N-CA 122.155 1.904 . . . . 0.0 113.372 178.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.893 0 C-N-CA 129.767 3.227 . . . . 0.0 112.251 178.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.045 0 O-C-N 119.384 -2.072 . . . . 0.0 109.517 177.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.559 1.314 0 CA-C-O 115.59 -2.148 . . . . 0.0 109.247 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 127.366 2.916 . . . . 0.0 109.42 179.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.223 0 O-C-N 120.309 -1.494 . . . . 0.0 112.881 177.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-O 122.036 0.922 . . . . 0.0 113.372 179.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.269 0 C-N-CA 126.509 1.924 . . . . 0.0 109.253 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 125.061 1.476 . . . . 0.0 110.222 175.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.14 0 C-N-CA 127.056 2.143 . . . . 0.0 114.62 178.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 1.991 0 CA-C-O 117.068 -1.962 . . . . 0.0 112.36 178.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 118.156 0.978 . . . . 0.0 108.519 179.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 176.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.941 0 C-N-CA 123.913 0.885 . . . . 0.0 112.852 -179.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.457 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 -175.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.31 -1.117 0 C-N-CA 124.998 1.319 . . . . 0.0 108.067 175.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 177.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.928 0 CA-C-N 114.285 -1.325 . . . . 0.0 110.129 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-O 115.963 -1.97 . . . . 0.0 112.337 178.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.58 0 N-CA-C 116.586 2.069 . . . . 0.0 116.586 -174.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.6 0 CA-C-O 122.756 1.265 . . . . 0.0 112.281 -178.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.448 -1.178 0 C-N-CA 122.367 2.045 . . . . 0.0 115.072 -179.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 107.472 -1.307 . . . . 0.0 107.472 177.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.436 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 178.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.497 -1.095 0 O-C-N 118.272 -2.768 . . . . 0.0 114.674 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.255 1.361 0 N-CA-C 115.951 1.834 . . . . 0.0 115.951 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.062 0 CA-C-N 120.306 1.145 . . . . 0.0 114.91 -179.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.266 1.026 . . . . 0.0 112.02 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 O-C-N 125.132 1.52 . . . . 0.0 111.445 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.255 1.368 0 N-CA-C 116.894 2.183 . . . . 0.0 116.894 179.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 127.663 2.385 . . . . 0.0 115.58 -178.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.246 0.897 0 N-CA-C 117.129 2.27 . . . . 0.0 117.129 -178.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.482 -2.018 0 CA-C-O 115.725 -2.708 . . . . 0.0 118.859 177.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.946 0 CA-C-N 124.109 3.955 . . . . 0.0 111.347 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-O 115.605 -2.141 . . . . 0.0 106.29 177.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.527 0 O-C-N 125.481 1.738 . . . . 0.0 107.682 -178.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.451 0 O-C-N 125.86 1.975 . . . . 0.0 111.496 -179.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-O 122.088 0.947 . . . . 0.0 110.726 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.064 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.266 1.939 0 O-C-N 126.026 2.078 . . . . 0.0 116.211 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.772 0 CA-C-O 117.915 -1.04 . . . . 0.0 112.605 -178.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 1.967 0 N-CA-C 107.793 -2.123 . . . . 0.0 107.793 -178.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 125.299 2.476 . . . . 0.0 112.66 -177.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.246 0.872 0 CA-C-N 110.909 -2.859 . . . . 0.0 110.414 179.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 126.35 2.281 . . . . 0.0 105.453 176.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.393 0 N-CA-C 117.837 2.532 . . . . 0.0 117.837 -176.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 178.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 103.816 -2.661 . . . . 0.0 103.816 177.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 CA-C-N 111.961 -2.381 . . . . 0.0 108.062 -179.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.323 0 N-CA-C 118.505 2.162 . . . . 0.0 118.505 -178.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.702 0 O-C-N 121.474 -1.015 . . . . 0.0 112.218 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.685 0 O-C-N 123.685 0.616 . . . . 0.0 112.633 -177.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-O 124.192 1.948 . . . . 0.0 110.087 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.886 0 CA-C-N 113.444 -1.707 . . . . 0.0 108.377 -178.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.463 0.491 0 CA-C-N 114.005 -1.452 . . . . 0.0 110.194 179.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 124.814 0.95 . . . . 0.0 109.984 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.247 0.965 0 CA-C-N 114.376 -1.284 . . . . 0.0 109.4 179.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.184 0 O-C-N 124.565 1.166 . . . . 0.0 110.201 178.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.812 0 N-CA-C 119.06 2.384 . . . . 0.0 119.06 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.829 0 O-C-N 120.901 -1.352 . . . . 0.0 109.118 179.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 107.092 -1.448 . . . . 0.0 107.092 178.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.266 1.935 0 O-C-N 125.67 1.856 . . . . 0.0 110.252 179.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.331 0.586 . . . . 0.0 111.852 -179.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 115.755 -2.069 . . . . 0.0 108.814 -177.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.892 0 O-C-N 127.229 2.83 . . . . 0.0 110.404 178.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 117.615 -1.183 . . . . 0.0 109.54 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 O-C-N 128.162 3.414 . . . . 0.0 112.847 -177.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.27 0 O-C-N 125.124 1.515 . . . . 0.0 111.686 -178.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 123.875 0.87 . . . . 0.0 110.228 178.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.292 -1.929 0 N-CA-C 118.058 2.614 . . . . 0.0 118.058 175.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.313 -1.021 0 C-N-CA 124.089 0.956 . . . . 0.0 109.054 177.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 127.43 2.956 . . . . 0.0 111.366 -177.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 130.028 3.331 . . . . 0.0 108.972 178.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.93 0 O-C-N 126.774 2.546 . . . . 0.0 113.796 -178.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -178.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 124.748 1.28 . . . . 0.0 109.999 178.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.303 -1.419 0 C-N-CA 124.042 0.937 . . . . 0.0 109.143 179.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.868 0 C-N-CA 123.516 0.726 . . . . 0.0 112.734 -178.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-O 116.955 -1.497 . . . . 0.0 110.959 -177.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.668 0 CA-C-O 116.767 -1.587 . . . . 0.0 110.699 -176.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.151 0 CA-C-N 119.521 1.055 . . . . 0.0 112.881 -178.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 124.909 1.284 . . . . 0.0 111.726 -178.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 125.02 1.45 . . . . 0.0 108.274 -179.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 126.564 2.415 . . . . 0.0 111.618 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.002 0 C-N-CA 120.153 -0.619 . . . . 0.0 110.52 177.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 -177.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 125.652 1.581 . . . . 0.0 111.262 177.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.465 0.632 0 O-C-N 121.344 -0.847 . . . . 0.0 114.29 -179.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 179.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 119.863 -1.773 . . . . 0.0 109.693 -179.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.44 -0.938 0 N-CA-C 116.408 2.003 . . . . 0.0 116.408 -176.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.306 -1.313 0 O-C-N 125.253 1.596 . . . . 0.0 110.337 -176.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 112.549 -2.114 . . . . 0.0 108.288 176.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 N-CA-C 104.509 -2.404 . . . . 0.0 104.509 178.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 125.379 1.674 . . . . 0.0 108.275 -177.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.262 0 O-C-N 125.923 2.014 . . . . 0.0 110.987 -175.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.457 0 O-C-N 126.276 2.724 . . . . 0.0 115.034 -176.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 120.406 -1.434 . . . . 0.0 113.821 177.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.382 0 N-CA-C 115.579 1.696 . . . . 0.0 115.579 -177.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.264 1.844 0 CA-C-O 115.097 -2.382 . . . . 0.0 112.745 -178.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.634 0 CA-C-N 120.959 1.709 . . . . 0.0 114.824 -177.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.026 0 C-N-CA 127.017 2.127 . . . . 0.0 111.163 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 O-C-N 126.287 2.242 . . . . 0.0 110.479 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 125.361 1.465 . . . . 0.0 107.067 177.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.729 0 C-N-CA 126.604 1.962 . . . . 0.0 112.587 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.252 1.187 0 CA-C-N 113.21 -1.814 . . . . 0.0 111.416 -177.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.309 -1.157 0 C-N-CA 123.876 0.87 . . . . 0.0 113.174 -179.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 104.158 -2.534 . . . . 0.0 104.158 177.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 104.835 -2.283 . . . . 0.0 104.835 178.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 128.498 3.624 . . . . 0.0 116.992 -175.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.334 0 N-CA-C 105.295 -3.122 . . . . 0.0 105.295 177.087 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.273 2.331 0 O-C-N 128.507 3.121 . . . . 0.0 106.524 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.822 0 C-N-CA 118.916 -1.114 . . . . 0.0 112.694 -177.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.77 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 177.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.839 0 CA-C-O 122.434 1.111 . . . . 0.0 108.125 176.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.302 0 C-N-CA 121.516 1.477 . . . . 0.0 111.851 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 177.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 105.289 -2.115 . . . . 0.0 105.289 177.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 122.811 1.291 . . . . 0.0 110.093 -176.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.25 1.143 0 CA-C-N 112.679 -2.055 . . . . 0.0 112.785 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.309 -1.191 0 CA-C-N 118.187 0.993 . . . . 0.0 110.776 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.951 0 O-C-N 123.492 1.259 . . . . 0.0 111.662 177.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 103.169 -2.9 . . . . 0.0 103.169 178.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.335 0 O-C-N 126.858 2.599 . . . . 0.0 112.264 -178.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.679 0 N-CA-C 107.572 -1.742 . . . . 0.0 107.572 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.971 0 O-C-N 128.129 3.393 . . . . 0.0 102.979 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.266 1.939 0 CA-C-O 115.954 -1.974 . . . . 0.0 108.786 -178.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.544 1.862 0 N-CA-C 104.089 -3.604 . . . . 0.0 104.089 179.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.257 1.486 0 CA-C-O 115.693 -2.099 . . . . 0.0 109.505 -176.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.746 0 N-CA-C 103.699 -2.704 . . . . 0.0 103.699 -179.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.498 -1.048 0 O-C-N 127.768 3.168 . . . . 0.0 113.532 -179.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 106.409 -1.7 . . . . 0.0 106.409 -177.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.501 2.968 0 O-C-N 126.288 2.242 . . . . 0.0 107.575 -179.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.087 -2.419 . . . . 0.0 110.271 -177.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.309 0 N-CA-C 100.649 -3.834 . . . . 0.0 100.649 -175.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.265 0 CA-C-O 115.226 -2.072 . . . . 0.0 112.109 177.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.813 0 CA-C-N 120.716 1.598 . . . . 0.0 109.601 177.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.423 0 CA-C-N 112.795 -2.002 . . . . 0.0 110.618 178.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.434 -1.257 0 O-C-N 120.949 -1.094 . . . . 0.0 110.427 178.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.159 0 O-C-N 125.816 1.947 . . . . 0.0 110.276 -178.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.089 0 O-C-N 127.029 2.706 . . . . 0.0 107.038 178.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.625 0 CA-C-O 122.202 1.001 . . . . 0.0 112.972 177.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.901 0 O-C-N 117.463 -3.273 . . . . 0.0 114.553 179.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.814 0 O-C-N 125.649 1.843 . . . . 0.0 108.145 179.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.565 1 O-C-N 129.224 4.077 . . . . 0.0 109.741 179.198 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 120.066 -1.646 . . . . 0.0 111.842 179.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.302 -1.497 0 C-N-CA 125.096 1.358 . . . . 0.0 112.714 178.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.059 0 C-N-CA 127.995 2.712 . . . . 0.0 114.327 -178.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.273 2.333 0 C-N-CA 128.266 2.626 . . . . 0.0 111.501 -178.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 C-N-CA 117.633 -1.627 . . . . 0.0 107.392 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.09 0 CA-C-O 117.293 -1.336 . . . . 0.0 109.017 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.307 0 C-N-CA 122.874 2.383 . . . . 0.0 111.75 179.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.011 0 O-C-N 118.655 -2.528 . . . . 0.0 115.693 -177.428 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.033 0 C-N-CA 126.597 1.959 . . . . 0.0 110.917 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.947 0 C-N-CA 123.394 2.73 . . . . 0.0 115.473 178.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.684 0 CA-C-N 121.319 1.872 . . . . 0.0 113.483 177.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 124.977 1.311 . . . . 0.0 108.017 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.848 0 C-N-CA 119.079 -1.049 . . . . 0.0 109.754 179.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.576 -0.703 . . . . 0.0 109.287 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 114.216 -1.356 . . . . 0.0 109.749 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 119.588 1.085 . . . . 0.0 111.946 -177.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-O 117.096 -1.431 . . . . 0.0 111.855 -178.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.289 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 -178.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.258 1.51 0 CA-C-N 114.588 -1.187 . . . . 0.0 109.157 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-O 124.877 2.275 . . . . 0.0 109.422 178.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.034 0 CA-C-N 112.716 -2.038 . . . . 0.0 111.294 178.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.736 0 CA-C-N 121.16 1.8 . . . . 0.0 112.759 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.253 1.285 0 CA-C-O 118.486 -0.768 . . . . 0.0 112.283 -176.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 O-C-N 124.064 0.853 . . . . 0.0 109.092 -179.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-O 115.233 -2.318 . . . . 0.0 110.927 -178.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.201 0 O-C-N 127.581 3.051 . . . . 0.0 111.035 178.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.294 -1.815 0 C-N-CA 127.412 2.285 . . . . 0.0 113.737 -177.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 125.986 2.054 . . . . 0.0 112.22 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.361 0 CA-C-N 121.306 1.866 . . . . 0.0 114.838 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.569 0 C-N-CA 124.757 1.223 . . . . 0.0 111.425 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 178.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.307 -1.247 0 N-CA-C 107.305 -1.368 . . . . 0.0 107.305 178.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 O-C-N 124.811 1.319 . . . . 0.0 110.007 -178.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-N 113.638 -1.619 . . . . 0.0 111.073 178.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 127.126 2.17 . . . . 0.0 112.535 -178.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 113.722 -1.581 . . . . 0.0 111.933 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.243 0.726 0 CA-C-O 116.755 -1.593 . . . . 0.0 111.658 -178.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 126.479 2.362 . . . . 0.0 107.528 178.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.047 0 C-N-CA 126.377 1.871 . . . . 0.0 113.16 179.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.603 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.308 -1.212 0 O-C-N 124.42 1.075 . . . . 0.0 108.214 178.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-O 116.525 -1.702 . . . . 0.0 112.149 179.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.513 0 N-CA-C 115.888 1.81 . . . . 0.0 115.888 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 O-C-N 124.479 1.112 . . . . 0.0 111.116 -177.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.311 -1.099 0 O-C-N 125.473 1.733 . . . . 0.0 111.373 -178.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.091 0 C-N-CA 127.311 2.244 . . . . 0.0 107.414 179.159 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 500' ' ' MXT . . . . . 1.277 H122 ' N ' ' A' ' 41' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 600' ' ' MXT . . . . . 0.717 H231 ' O12' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.514 ' HA ' H111 ' A' ' 500' ' ' MXT . 0.0 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 1.06 ' H ' H122 ' A' ' 500' ' ' MXT . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.506 2.329 0 O-C-N 125.664 1.852 . . . . 0.0 106.832 172.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.741 1 O-C-N 129.233 4.281 . . . . 0.0 108.028 -177.141 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.912 0 CA-C-N 121.048 1.749 . . . . 0.0 112.618 -178.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.195 0 CA-C-N 114.22 -1.355 . . . . 0.0 110.886 -178.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.172 0 C-N-CA 126.972 2.109 . . . . 0.0 110.178 -177.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.465 0 O-C-N 120.889 -1.132 . . . . 0.0 109.855 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.58 0 N-CA-C 105.883 -1.895 . . . . 0.0 105.883 -177.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 127.148 2.78 . . . . 0.0 107.866 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.759 0 CA-C-O 115.414 -2.232 . . . . 0.0 106.469 177.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.557 1 O-C-N 130.702 5.001 . . . . 0.0 106.288 178.157 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.109 0 CA-C-O 113.72 -3.038 . . . . 0.0 105.88 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-N 121.153 1.797 . . . . 0.0 110.058 -177.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.785 0 O-C-N 125.857 1.973 . . . . 0.0 105.8 -176.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.254 1.302 0 O-C-N 127.497 2.998 . . . . 0.0 112.807 -176.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.965 0 O-C-N 127.201 2.813 . . . . 0.0 112.281 177.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 122.134 2.243 . . . . 0.0 111.938 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.332 -0.172 0 O-C-N 126.606 2.441 . . . . 0.0 109.676 -174.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.323 -0.764 0 C-N-CA 124.702 3.602 . . . . 0.0 111.967 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.475 0.814 0 CA-C-N 111.712 -2.495 . . . . 0.0 106.786 179.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.265 0 O-C-N 127.514 3.376 . . . . 0.0 107.933 178.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.505 0 CA-C-O 116.155 -1.685 . . . . 0.0 108.335 178.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.606 0 O-C-N 127.065 2.728 . . . . 0.0 112.145 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.989 0 C-N-CA 126.762 2.025 . . . . 0.0 114.931 -174.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.688 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 175.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.298 0 O-C-N 124.897 1.373 . . . . 0.0 113.677 -175.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.255 1.391 0 CA-C-O 117.439 -1.267 . . . . 0.0 112.819 -179.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.253 1.267 0 CA-C-N 121.704 2.047 . . . . 0.0 114.936 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.311 -1.443 0 C-N-CA 122.103 1.869 . . . . 0.0 113.309 178.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.293 -1.887 0 C-N-CA 129.787 3.235 . . . . 0.0 112.285 178.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.311 -1.066 0 O-C-N 119.427 -2.046 . . . . 0.0 109.527 177.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.346 0 CA-C-O 115.604 -2.141 . . . . 0.0 109.232 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 127.415 2.947 . . . . 0.0 109.375 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.195 0 O-C-N 120.345 -1.472 . . . . 0.0 112.882 177.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-O 122.061 0.934 . . . . 0.0 113.368 179.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.253 0 C-N-CA 126.49 1.916 . . . . 0.0 109.251 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 125.104 1.503 . . . . 0.0 110.212 175.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.271 2.19 0 C-N-CA 127.134 2.174 . . . . 0.0 114.556 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 1.987 0 CA-C-O 117.053 -1.97 . . . . 0.0 112.376 178.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-N 118.142 0.971 . . . . 0.0 108.48 179.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 176.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.947 0 C-N-CA 123.931 0.892 . . . . 0.0 112.883 -179.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.461 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 -175.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.085 0 C-N-CA 124.976 1.31 . . . . 0.0 108.088 175.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 177.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.953 0 CA-C-N 114.288 -1.324 . . . . 0.0 110.055 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-O 115.974 -1.965 . . . . 0.0 112.324 178.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.564 0 N-CA-C 116.566 2.061 . . . . 0.0 116.566 -174.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.578 0 CA-C-O 122.734 1.254 . . . . 0.0 112.28 -178.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 122.371 2.048 . . . . 0.0 115.121 -179.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 177.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.439 0 N-CA-C 115.172 1.545 . . . . 0.0 115.172 178.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.118 0 O-C-N 118.348 -2.72 . . . . 0.0 114.677 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.292 0 N-CA-C 115.963 1.838 . . . . 0.0 115.963 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.028 0 CA-C-N 120.265 1.13 . . . . 0.0 114.849 -179.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.25 1.02 . . . . 0.0 112.028 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 O-C-N 125.116 1.51 . . . . 0.0 111.473 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.317 0 N-CA-C 116.94 2.2 . . . . 0.0 116.94 179.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 127.62 2.368 . . . . 0.0 115.573 -178.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.839 0 N-CA-C 117.103 2.26 . . . . 0.0 117.103 -178.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.057 0 CA-C-O 115.683 -2.732 . . . . 0.0 118.894 177.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.29 -1.988 0 CA-C-N 124.147 3.973 . . . . 0.0 111.363 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-O 115.626 -2.131 . . . . 0.0 106.292 177.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.524 0 O-C-N 125.497 1.748 . . . . 0.0 107.622 -178.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.487 0 O-C-N 125.774 1.921 . . . . 0.0 111.45 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-O 122.103 0.954 . . . . 0.0 110.741 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.248 1.007 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.268 2.03 0 O-C-N 126.064 2.103 . . . . 0.0 116.166 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.262 1.758 0 CA-C-O 117.944 -1.027 . . . . 0.0 112.616 -178.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.485 1.914 0 N-CA-C 107.823 -2.111 . . . . 0.0 107.823 -178.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 125.32 2.486 . . . . 0.0 112.641 -177.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.829 0 CA-C-N 110.913 -2.858 . . . . 0.0 110.394 179.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.314 -0.974 0 O-C-N 126.376 2.298 . . . . 0.0 105.405 176.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.399 0 N-CA-C 117.786 2.513 . . . . 0.0 117.786 -176.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 178.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 103.837 -2.653 . . . . 0.0 103.837 177.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 CA-C-N 111.958 -2.383 . . . . 0.0 108.029 -179.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.292 0 N-CA-C 118.541 2.176 . . . . 0.0 118.541 -178.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.243 0.714 0 O-C-N 121.448 -1.03 . . . . 0.0 112.272 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.642 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -177.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-O 124.207 1.956 . . . . 0.0 110.08 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.912 0 CA-C-N 113.452 -1.703 . . . . 0.0 108.363 -178.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.464 0.505 0 CA-C-N 114.029 -1.441 . . . . 0.0 110.185 179.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 124.829 0.958 . . . . 0.0 110.008 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.974 0 CA-C-N 114.355 -1.293 . . . . 0.0 109.379 179.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.187 0 O-C-N 124.491 1.119 . . . . 0.0 110.197 178.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 CA--C 1.501 -0.824 0 N-CA-C 119.08 2.392 . . . . 0.0 119.08 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.822 0 O-C-N 120.892 -1.358 . . . . 0.0 109.059 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 107.073 -1.455 . . . . 0.0 107.073 178.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.912 0 O-C-N 125.64 1.838 . . . . 0.0 110.285 179.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.327 0.584 . . . . 0.0 111.879 -179.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 115.662 -2.113 . . . . 0.0 108.775 -177.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.934 0 O-C-N 127.28 2.863 . . . . 0.0 110.369 178.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 117.672 -1.156 . . . . 0.0 109.596 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 O-C-N 128.128 3.393 . . . . 0.0 112.816 -177.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.278 0 O-C-N 125.076 1.485 . . . . 0.0 111.756 -178.078 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 123.878 0.871 . . . . 0.0 110.178 178.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.942 0 N-CA-C 118.029 2.603 . . . . 0.0 118.029 175.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.037 0 C-N-CA 124.132 0.973 . . . . 0.0 109.116 177.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 127.404 2.94 . . . . 0.0 111.405 -177.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 129.985 3.314 . . . . 0.0 108.963 178.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.246 0.889 0 O-C-N 126.788 2.555 . . . . 0.0 113.809 -178.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 -178.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 124.764 1.29 . . . . 0.0 109.984 178.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.382 0 C-N-CA 124.061 0.944 . . . . 0.0 109.194 179.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.315 -0.917 0 O-C-N 123.835 0.709 . . . . 0.0 112.692 -178.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 1 C--O 15.156 732.995 1 CA-C-O 101.629 -8.796 . . . . 0.0 111.005 -177.862 . . . . . . . . 4 3 . 1 . 019 nuclear nobuild full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.664 1 O-C-N 58.271 -40.268 . . . . 0.0 110.697 -176.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.158 0 CA-C-N 119.533 1.06 . . . . 0.0 112.875 -178.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.431 -1.406 0 C-N-CA 124.918 1.287 . . . . 0.0 111.698 -178.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 125.053 1.471 . . . . 0.0 108.264 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.743 0 O-C-N 126.572 2.42 . . . . 0.0 111.625 -178.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.249 1.054 0 C-N-CA 120.132 -0.627 . . . . 0.0 110.522 177.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 114.347 1.24 . . . . 0.0 114.347 -177.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.508 0 C-N-CA 125.643 1.577 . . . . 0.0 111.277 177.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.466 0.694 0 O-C-N 121.336 -0.853 . . . . 0.0 114.276 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.616 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.322 -0.628 0 O-C-N 119.881 -1.762 . . . . 0.0 109.668 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 116.374 1.99 . . . . 0.0 116.374 -176.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 125.239 1.587 . . . . 0.0 110.278 -176.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 112.499 -2.137 . . . . 0.0 108.32 176.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 N-CA-C 104.528 -2.397 . . . . 0.0 104.528 178.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 125.424 1.702 . . . . 0.0 108.312 -177.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.273 0 O-C-N 125.874 1.984 . . . . 0.0 110.994 -175.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.469 0 O-C-N 126.292 2.733 . . . . 0.0 115.028 -176.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.527 0 O-C-N 120.39 -1.444 . . . . 0.0 113.821 177.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.39 0 N-CA-C 115.615 1.709 . . . . 0.0 115.615 -177.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--N 1.294 -1.829 0 CA-C-O 115.046 -2.407 . . . . 0.0 112.773 -178.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.606 0 CA-C-N 120.918 1.69 . . . . 0.0 114.852 -178.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.049 0 C-N-CA 127.006 2.123 . . . . 0.0 111.227 -179.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 126.196 2.185 . . . . 0.0 110.47 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 177.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.732 0 C-N-CA 126.624 1.969 . . . . 0.0 112.578 179.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.182 0 CA-C-N 113.223 -1.808 . . . . 0.0 111.429 -177.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.115 0 C-N-CA 123.84 0.856 . . . . 0.0 113.156 -179.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 104.192 -2.521 . . . . 0.0 104.192 177.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 104.848 -2.278 . . . . 0.0 104.848 178.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 128.497 3.623 . . . . 0.0 116.983 -175.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.326 0 N-CA-C 105.333 -3.107 . . . . 0.0 105.333 177.064 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.38 0 O-C-N 128.543 3.143 . . . . 0.0 106.524 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.846 0 C-N-CA 118.988 -1.085 . . . . 0.0 112.713 -177.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.839 0 CA-C-O 122.458 1.123 . . . . 0.0 108.089 176.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 121.475 1.45 . . . . 0.0 111.841 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 177.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 105.37 -2.085 . . . . 0.0 105.37 177.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 122.753 1.263 . . . . 0.0 110.138 -176.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.163 0 CA-C-N 112.629 -2.078 . . . . 0.0 112.783 179.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.309 -1.169 0 CA-C-N 118.213 1.007 . . . . 0.0 110.724 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.949 0 O-C-N 123.483 1.254 . . . . 0.0 111.644 177.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.021 0 N-CA-C 103.179 -2.897 . . . . 0.0 103.179 178.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.329 0 O-C-N 126.841 2.588 . . . . 0.0 112.22 -178.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.44 -1.666 0 N-CA-C 107.562 -1.745 . . . . 0.0 107.562 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.962 0 O-C-N 128.159 3.412 . . . . 0.0 102.973 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.266 1.968 0 CA-C-O 116.001 -1.952 . . . . 0.0 108.793 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.544 1.864 0 N-CA-C 104.072 -3.611 . . . . 0.0 104.072 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.257 1.499 0 CA-C-O 115.659 -2.115 . . . . 0.0 109.495 -178.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.718 0 N-CA-C 103.692 -2.707 . . . . 0.0 103.692 -179.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.498 -1.037 0 O-C-N 127.752 3.158 . . . . 0.0 113.509 -177.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 106.321 -1.733 . . . . 0.0 106.321 -178.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.907 0 O-C-N 126.254 2.221 . . . . 0.0 107.647 -179.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.448 -2.207 . . . . 0.0 110.271 -176.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.334 0 N-CA-C 100.637 -3.838 . . . . 0.0 100.637 179.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.294 0 CA-C-O 115.241 -2.066 . . . . 0.0 112.111 -179.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.809 0 CA-C-N 120.715 1.598 . . . . 0.0 109.593 177.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.274 2.388 0 CA-C-N 112.842 -1.981 . . . . 0.0 110.6 178.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.305 0 O-C-N 120.903 -1.123 . . . . 0.0 110.424 178.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.164 0 O-C-N 125.797 1.935 . . . . 0.0 110.232 -178.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.289 -2.059 0 O-C-N 127.015 2.697 . . . . 0.0 107.088 178.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.609 0 CA-C-O 122.205 1.002 . . . . 0.0 112.903 177.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.905 0 O-C-N 117.48 -3.263 . . . . 0.0 114.594 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.816 0 O-C-N 125.564 1.79 . . . . 0.0 108.117 179.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.299 -1.6 1 O-C-N 129.249 4.093 . . . . 0.0 109.805 179.177 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 120.081 -1.637 . . . . 0.0 111.844 179.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 125.112 1.365 . . . . 0.0 112.761 178.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.034 0 C-N-CA 128.0 2.714 . . . . 0.0 114.286 -179.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.273 2.298 0 C-N-CA 128.254 2.622 . . . . 0.0 111.518 -178.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 C-N-CA 117.581 -1.648 . . . . 0.0 107.374 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.287 -2.116 0 CA-C-O 117.288 -1.339 . . . . 0.0 108.982 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.308 0 C-N-CA 122.848 2.365 . . . . 0.0 111.754 178.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.249 1.044 0 O-C-N 118.608 -2.557 . . . . 0.0 115.692 -177.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.033 0 C-N-CA 126.625 1.97 . . . . 0.0 110.913 178.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.943 0 C-N-CA 123.397 2.731 . . . . 0.0 115.488 178.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-N 121.32 1.873 . . . . 0.0 113.47 177.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 124.955 1.302 . . . . 0.0 107.991 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.817 0 C-N-CA 119.102 -1.039 . . . . 0.0 109.749 179.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.588 -0.695 . . . . 0.0 109.312 179.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 114.214 -1.357 . . . . 0.0 109.759 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.295 0 CA-C-N 119.543 1.065 . . . . 0.0 111.89 -177.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 117.087 -1.435 . . . . 0.0 111.862 -178.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 -178.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.469 0 CA-C-N 114.581 -1.19 . . . . 0.0 109.151 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-O 124.924 2.297 . . . . 0.0 109.444 178.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.049 0 CA-C-N 112.748 -2.024 . . . . 0.0 111.32 178.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.747 0 CA-C-N 121.145 1.793 . . . . 0.0 112.752 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.253 1.268 0 CA-C-O 118.445 -0.788 . . . . 0.0 112.288 -176.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 O-C-N 124.132 0.895 . . . . 0.0 109.081 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-O 115.185 -2.34 . . . . 0.0 110.914 -178.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.234 0 O-C-N 127.602 3.063 . . . . 0.0 111.014 178.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.788 0 C-N-CA 127.363 2.265 . . . . 0.0 113.755 -177.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 125.982 2.051 . . . . 0.0 112.213 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.352 0 CA-C-N 121.329 1.877 . . . . 0.0 114.806 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.576 0 C-N-CA 124.796 1.239 . . . . 0.0 111.413 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 178.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.234 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 178.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 O-C-N 124.832 1.332 . . . . 0.0 110.034 -178.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 113.688 -1.596 . . . . 0.0 111.045 178.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 127.123 2.169 . . . . 0.0 112.531 -178.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 113.677 -1.602 . . . . 0.0 111.968 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-O 116.718 -1.61 . . . . 0.0 111.695 -178.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 126.579 2.424 . . . . 0.0 107.537 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.05 0 C-N-CA 126.426 1.89 . . . . 0.0 113.153 179.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.621 -179.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.186 0 O-C-N 124.438 1.087 . . . . 0.0 108.164 178.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-O 116.55 -1.691 . . . . 0.0 112.104 179.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.518 0 N-CA-C 115.924 1.824 . . . . 0.0 115.924 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 O-C-N 124.459 1.099 . . . . 0.0 111.102 -177.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.134 0 O-C-N 125.457 1.723 . . . . 0.0 111.352 -178.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.085 0 C-N-CA 127.23 2.212 . . . . 0.0 107.473 179.146 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 500' ' ' MXT . . . . . 1.06 H122 ' H ' ' A' ' 42' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 600' ' ' MXT . . . . . 0.755 ' O12' H231 ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.614 ' C ' H111 ' A' ' 500' ' ' MXT . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 1.161 ' N ' H111 ' A' ' 500' ' ' MXT . 0.8 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.303 0 O-C-N 125.664 1.852 . . . . 0.0 106.868 173.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.731 1 O-C-N 129.187 4.256 . . . . 0.0 107.962 -177.726 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.908 0 CA-C-N 120.994 1.725 . . . . 0.0 112.6 -178.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.502 2.168 0 CA-C-N 114.26 -1.336 . . . . 0.0 110.945 -179.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.222 0 C-N-CA 126.982 2.113 . . . . 0.0 110.255 -177.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.454 0 O-C-N 120.835 -1.166 . . . . 0.0 109.819 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.566 0 N-CA-C 105.896 -1.89 . . . . 0.0 105.896 -177.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 127.15 2.781 . . . . 0.0 107.831 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.785 0 CA-C-O 115.47 -2.205 . . . . 0.0 106.403 177.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.571 1 O-C-N 130.666 4.979 . . . . 0.0 106.285 178.41 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.162 0 CA-C-O 113.736 -3.03 . . . . 0.0 105.838 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-N 121.12 1.782 . . . . 0.0 110.048 -177.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.774 0 O-C-N 125.864 1.977 . . . . 0.0 105.783 -176.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.362 0 O-C-N 127.494 2.996 . . . . 0.0 112.79 -176.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.267 1.975 0 O-C-N 127.166 2.792 . . . . 0.0 112.267 177.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 122.154 2.252 . . . . 0.0 111.951 -179.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--O 1.225 -0.216 0 O-C-N 126.64 2.462 . . . . 0.0 109.734 -174.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.739 0 C-N-CA 124.652 3.568 . . . . 0.0 111.945 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.855 0 CA-C-N 111.717 -2.492 . . . . 0.0 106.76 179.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.267 0 O-C-N 127.517 3.377 . . . . 0.0 107.904 178.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.512 0 C-N-CA 121.868 1.712 . . . . 0.0 108.273 178.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.604 0 O-C-N 127.057 2.723 . . . . 0.0 112.183 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.986 0 C-N-CA 126.767 2.027 . . . . 0.0 114.941 -174.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.674 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 175.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.307 -1.278 0 O-C-N 124.875 1.36 . . . . 0.0 113.64 -175.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.44 0 CA-C-O 117.443 -1.265 . . . . 0.0 112.779 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.253 1.266 0 CA-C-N 121.761 2.073 . . . . 0.0 114.943 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.47 0 C-N-CA 122.156 1.904 . . . . 0.0 113.3 178.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.293 -1.882 0 C-N-CA 129.795 3.238 . . . . 0.0 112.293 178.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.313 -1.02 0 O-C-N 119.428 -2.045 . . . . 0.0 109.544 177.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.336 0 CA-C-O 115.545 -2.169 . . . . 0.0 109.196 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 127.415 2.947 . . . . 0.0 109.395 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.216 0 O-C-N 120.325 -1.485 . . . . 0.0 112.886 177.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-O 122.048 0.927 . . . . 0.0 113.334 179.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.306 -1.289 0 C-N-CA 126.489 1.916 . . . . 0.0 109.233 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 125.121 1.513 . . . . 0.0 110.253 175.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.269 2.124 0 C-N-CA 127.083 2.153 . . . . 0.0 114.584 178.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.0 0 CA-C-O 117.076 -1.958 . . . . 0.0 112.327 178.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.446 0 CA-C-N 118.138 0.969 . . . . 0.0 108.501 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 176.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.941 0 C-N-CA 123.985 0.914 . . . . 0.0 112.802 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.456 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -175.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.077 0 C-N-CA 124.98 1.312 . . . . 0.0 108.067 175.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 177.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.969 0 CA-C-N 114.306 -1.316 . . . . 0.0 110.057 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-O 115.927 -1.987 . . . . 0.0 112.329 178.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.58 0 N-CA-C 116.551 2.056 . . . . 0.0 116.551 -174.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.592 0 CA-C-O 122.713 1.245 . . . . 0.0 112.289 -178.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.264 0 C-N-CA 122.381 2.054 . . . . 0.0 115.181 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 177.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.44 0 N-CA-C 115.151 1.537 . . . . 0.0 115.151 178.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.099 0 O-C-N 118.343 -2.723 . . . . 0.0 114.632 -179.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.253 1.287 0 N-CA-C 115.976 1.843 . . . . 0.0 115.976 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.067 0 CA-C-N 120.241 1.122 . . . . 0.0 114.884 -179.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.256 1.022 . . . . 0.0 112.067 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 O-C-N 125.054 1.472 . . . . 0.0 111.429 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.295 0 N-CA-C 116.93 2.196 . . . . 0.0 116.93 179.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 127.59 2.356 . . . . 0.0 115.572 -178.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.246 0.892 0 N-CA-C 117.101 2.26 . . . . 0.0 117.101 -178.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.052 0 CA-C-O 115.743 -2.698 . . . . 0.0 118.902 177.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.948 0 CA-C-N 124.147 3.973 . . . . 0.0 111.378 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-O 115.626 -2.13 . . . . 0.0 106.289 177.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.302 -1.495 0 O-C-N 125.506 1.754 . . . . 0.0 107.648 -178.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.498 0 O-C-N 125.767 1.917 . . . . 0.0 111.47 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-O 122.068 0.937 . . . . 0.0 110.698 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.248 1.0 0 N-CA-C 106.723 -1.584 . . . . 0.0 106.723 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.266 1.973 0 O-C-N 126.052 2.095 . . . . 0.0 116.222 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.806 0 CA-C-O 117.869 -1.062 . . . . 0.0 112.576 -178.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.485 1.931 0 N-CA-C 107.829 -2.108 . . . . 0.0 107.829 -178.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 125.321 2.486 . . . . 0.0 112.691 -177.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.839 0 CA-C-N 110.879 -2.873 . . . . 0.0 110.462 179.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.314 -0.977 0 O-C-N 126.344 2.278 . . . . 0.0 105.426 176.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.394 0 N-CA-C 117.825 2.528 . . . . 0.0 117.825 -176.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 178.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 103.828 -2.656 . . . . 0.0 103.828 177.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 CA-C-N 112.01 -2.359 . . . . 0.0 108.025 -179.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.313 0 N-CA-C 118.546 2.179 . . . . 0.0 118.546 -178.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.695 0 O-C-N 121.419 -1.048 . . . . 0.0 112.239 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.659 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -177.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-O 124.254 1.978 . . . . 0.0 109.997 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.247 0.935 0 CA-C-N 113.424 -1.716 . . . . 0.0 108.355 -178.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.463 0.45 0 CA-C-N 114.069 -1.423 . . . . 0.0 110.238 179.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 124.849 0.97 . . . . 0.0 109.966 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.986 0 CA-C-N 114.378 -1.283 . . . . 0.0 109.362 179.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.213 0 O-C-N 124.528 1.143 . . . . 0.0 110.188 178.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 CA--C 1.5 -0.85 0 N-CA-C 119.06 2.384 . . . . 0.0 119.06 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 120.881 -1.364 . . . . 0.0 109.111 179.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.307 -1.257 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 178.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.884 0 O-C-N 125.711 1.882 . . . . 0.0 110.277 179.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.331 0.586 . . . . 0.0 111.893 -179.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 115.687 -2.101 . . . . 0.0 108.816 -177.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.912 0 O-C-N 127.298 2.874 . . . . 0.0 110.36 178.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 117.685 -1.15 . . . . 0.0 109.589 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 O-C-N 128.077 3.36 . . . . 0.0 112.799 -177.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.283 0 O-C-N 125.156 1.535 . . . . 0.0 111.729 -178.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 123.886 0.874 . . . . 0.0 110.248 178.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.292 -1.902 0 N-CA-C 118.029 2.603 . . . . 0.0 118.029 175.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.059 0 C-N-CA 124.113 0.965 . . . . 0.0 109.092 177.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 127.433 2.958 . . . . 0.0 111.388 -177.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.305 -1.335 0 C-N-CA 129.977 3.311 . . . . 0.0 109.006 178.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.246 0.88 0 O-C-N 126.727 2.517 . . . . 0.0 113.796 -178.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 115.259 1.577 . . . . 0.0 115.259 -178.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 124.711 1.257 . . . . 0.0 109.941 178.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 123.967 0.907 . . . . 0.0 109.179 179.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 123.449 0.7 . . . . 0.0 112.748 -178.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-O 116.964 -1.493 . . . . 0.0 110.984 -177.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.657 0 CA-C-O 116.802 -1.571 . . . . 0.0 110.731 -176.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.16 0 CA-C-N 119.507 1.049 . . . . 0.0 112.801 -178.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 124.959 1.304 . . . . 0.0 111.634 -178.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 125.046 1.466 . . . . 0.0 108.321 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.744 0 O-C-N 126.552 2.408 . . . . 0.0 111.595 -178.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 0.979 0 C-N-CA 120.178 -0.609 . . . . 0.0 110.512 177.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 114.317 1.228 . . . . 0.0 114.317 -177.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.521 0 C-N-CA 125.676 1.591 . . . . 0.0 111.26 177.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.466 0.654 0 O-C-N 121.31 -0.869 . . . . 0.0 114.263 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.626 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 119.785 -1.822 . . . . 0.0 109.665 -179.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.878 0 N-CA-C 116.375 1.991 . . . . 0.0 116.375 -176.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 125.25 1.594 . . . . 0.0 110.289 -176.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 112.497 -2.138 . . . . 0.0 108.329 175.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 N-CA-C 104.535 -2.394 . . . . 0.0 104.535 178.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 125.44 1.713 . . . . 0.0 108.318 -177.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.302 -1.312 0 O-C-N 125.883 1.989 . . . . 0.0 110.965 -175.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.446 0 O-C-N 126.3 2.737 . . . . 0.0 115.035 -176.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.52 0 O-C-N 120.407 -1.433 . . . . 0.0 113.809 177.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.384 0 N-CA-C 115.58 1.696 . . . . 0.0 115.58 -176.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.263 1.812 0 CA-C-O 115.095 -2.383 . . . . 0.0 112.821 -178.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.259 1.592 0 CA-C-N 120.893 1.679 . . . . 0.0 114.874 -178.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.024 0 C-N-CA 127.01 2.124 . . . . 0.0 111.2 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.488 0 O-C-N 126.299 2.249 . . . . 0.0 110.482 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 125.397 1.479 . . . . 0.0 107.064 177.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.714 0 C-N-CA 126.607 1.963 . . . . 0.0 112.595 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.17 0 CA-C-N 113.175 -1.83 . . . . 0.0 111.403 -177.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.309 -1.153 0 C-N-CA 123.846 0.858 . . . . 0.0 113.179 -179.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 104.16 -2.533 . . . . 0.0 104.16 177.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 104.815 -2.291 . . . . 0.0 104.815 178.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 128.524 3.64 . . . . 0.0 117.022 -175.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.584 4.36 0 N-CA-C 105.314 -3.114 . . . . 0.0 105.314 177.079 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.365 0 O-C-N 128.496 3.115 . . . . 0.0 106.585 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.244 0.774 0 C-N-CA 118.919 -1.112 . . . . 0.0 112.695 -177.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.753 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 177.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.244 0.798 0 CA-C-O 122.45 1.119 . . . . 0.0 108.105 176.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 121.488 1.459 . . . . 0.0 111.811 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 177.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 105.373 -2.084 . . . . 0.0 105.373 177.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 122.807 1.289 . . . . 0.0 110.13 -176.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.25 1.151 0 CA-C-N 112.66 -2.064 . . . . 0.0 112.8 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.309 -1.193 0 CA-C-N 118.129 0.965 . . . . 0.0 110.747 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 O-C-N 123.503 1.265 . . . . 0.0 111.663 177.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.021 0 N-CA-C 103.166 -2.902 . . . . 0.0 103.166 178.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.347 0 O-C-N 126.882 2.614 . . . . 0.0 112.25 -178.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.684 0 N-CA-C 107.603 -1.73 . . . . 0.0 107.603 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.292 -1.926 0 O-C-N 128.128 3.393 . . . . 0.0 103.031 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.266 1.959 0 CA-C-O 115.99 -1.957 . . . . 0.0 108.795 -178.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 C--N 1.293 -1.838 0 N-CA-C 104.04 -3.624 . . . . 0.0 104.04 179.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.257 1.49 0 CA-C-O 115.706 -2.092 . . . . 0.0 109.501 -178.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.729 0 N-CA-C 103.673 -2.714 . . . . 0.0 103.673 -178.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.077 0 O-C-N 127.763 3.164 . . . . 0.0 113.536 -177.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 -178.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.916 0 O-C-N 126.233 2.208 . . . . 0.0 107.604 -179.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.496 -2.179 . . . . 0.0 110.271 -177.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.324 0 N-CA-C 100.597 -3.853 . . . . 0.0 100.597 -179.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.309 0 CA-C-O 115.217 -2.076 . . . . 0.0 112.085 178.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.272 -2.791 0 CA-C-N 120.723 1.601 . . . . 0.0 109.606 177.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.397 0 CA-C-N 112.795 -2.002 . . . . 0.0 110.562 178.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.278 0 O-C-N 120.957 -1.09 . . . . 0.0 110.416 178.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.155 0 O-C-N 125.771 1.92 . . . . 0.0 110.312 -178.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.074 0 O-C-N 127.038 2.711 . . . . 0.0 107.006 178.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.484 -1.593 0 CA-C-O 122.196 0.998 . . . . 0.0 112.961 177.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.884 0 O-C-N 117.498 -3.252 . . . . 0.0 114.574 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.796 0 O-C-N 125.593 1.808 . . . . 0.0 108.133 179.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.577 1 O-C-N 129.192 4.057 . . . . 0.0 109.788 179.147 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 120.061 -1.65 . . . . 0.0 111.851 179.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.302 -1.489 0 C-N-CA 125.105 1.362 . . . . 0.0 112.754 178.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.054 0 C-N-CA 128.001 2.715 . . . . 0.0 114.287 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.273 2.31 0 C-N-CA 128.224 2.61 . . . . 0.0 111.486 -179.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 C-N-CA 117.582 -1.647 . . . . 0.0 107.348 -178.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.068 0 CA-C-O 117.264 -1.351 . . . . 0.0 109.037 179.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.315 0 C-N-CA 122.877 2.385 . . . . 0.0 111.739 178.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.249 1.048 0 O-C-N 118.649 -2.532 . . . . 0.0 115.655 -175.572 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.043 0 C-N-CA 126.605 1.962 . . . . 0.0 110.948 -177.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.938 0 C-N-CA 123.424 2.75 . . . . 0.0 115.49 178.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-N 121.323 1.874 . . . . 0.0 113.416 177.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 124.931 1.292 . . . . 0.0 108.036 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.863 0 C-N-CA 119.037 -1.065 . . . . 0.0 109.724 179.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.583 -0.698 . . . . 0.0 109.268 179.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 C--O 1.243 0.755 0 CA-C-N 114.282 -1.326 . . . . 0.0 109.724 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-N 119.62 1.1 . . . . 0.0 111.978 -177.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-O 117.136 -1.412 . . . . 0.0 111.851 -178.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.307 -1.282 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 -178.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.467 0 CA-C-N 114.587 -1.188 . . . . 0.0 109.153 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-O 124.91 2.29 . . . . 0.0 109.395 178.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.053 0 CA-C-N 112.757 -2.02 . . . . 0.0 111.301 178.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-N 121.116 1.78 . . . . 0.0 112.732 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.314 0 CA-C-O 118.481 -0.771 . . . . 0.0 112.298 -176.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 O-C-N 124.056 0.848 . . . . 0.0 109.11 -179.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-O 115.201 -2.333 . . . . 0.0 110.883 -178.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.222 0 O-C-N 127.611 3.069 . . . . 0.0 111.06 178.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.776 0 C-N-CA 127.41 2.284 . . . . 0.0 113.694 -177.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 125.936 2.022 . . . . 0.0 112.216 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.393 0 CA-C-N 121.289 1.859 . . . . 0.0 114.777 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.26 1.619 0 C-N-CA 124.848 1.259 . . . . 0.0 111.38 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 178.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 178.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 O-C-N 124.823 1.327 . . . . 0.0 110.012 -178.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-N 113.629 -1.623 . . . . 0.0 111.02 178.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 127.165 2.186 . . . . 0.0 112.526 -178.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 113.669 -1.605 . . . . 0.0 111.97 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-O 116.757 -1.592 . . . . 0.0 111.666 -178.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 126.515 2.385 . . . . 0.0 107.497 178.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.039 0 C-N-CA 126.413 1.885 . . . . 0.0 113.162 179.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.637 -179.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.189 0 O-C-N 124.443 1.089 . . . . 0.0 108.209 178.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-O 116.542 -1.694 . . . . 0.0 112.113 179.032 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.257 1.477 0 N-CA-C 115.909 1.818 . . . . 0.0 115.909 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 O-C-N 124.48 1.112 . . . . 0.0 111.11 -177.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.141 0 O-C-N 125.488 1.742 . . . . 0.0 111.321 -178.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.31 -1.115 0 C-N-CA 127.274 2.23 . . . . 0.0 107.439 179.111 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 500' ' ' MXT . . . . . 1.161 H111 ' N ' ' A' ' 41' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 600' ' ' MXT . . . . . 0.75 ' O12' H231 ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.506 2.335 0 O-C-N 125.664 1.852 . . . . 0.0 106.843 169.76 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.716 1 O-C-N 129.172 4.249 . . . . 0.0 107.991 -175.913 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.909 0 CA-C-N 121.033 1.742 . . . . 0.0 112.625 -178.044 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.502 2.166 0 CA-C-N 114.241 -1.345 . . . . 0.0 110.92 -177.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.187 0 C-N-CA 127.005 2.122 . . . . 0.0 110.243 -177.252 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.474 0 O-C-N 120.89 -1.131 . . . . 0.0 109.846 179.8 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.583 0 N-CA-C 105.955 -1.869 . . . . 0.0 105.955 -178.182 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 127.125 2.766 . . . . 0.0 107.781 179.46 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.771 0 CA-C-O 115.399 -2.239 . . . . 0.0 106.454 -179.059 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.533 1 O-C-N 130.714 5.009 . . . . 0.0 106.336 169.896 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.129 0 CA-C-O 113.743 -3.027 . . . . 0.0 105.863 -179.8 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.489 1.483 0 CA-C-N 121.136 1.789 . . . . 0.0 110.016 -177.717 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.766 0 O-C-N 125.835 1.959 . . . . 0.0 105.773 -176.609 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.351 0 O-C-N 127.525 3.016 . . . . 0.0 112.736 -176.359 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.267 1.977 0 O-C-N 127.188 2.805 . . . . 0.0 112.259 177.615 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 122.189 2.268 . . . . 0.0 111.904 -179.646 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--O 1.225 -0.224 0 O-C-N 126.631 2.457 . . . . 0.0 109.727 -174.841 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.733 0 C-N-CA 124.735 3.623 . . . . 0.0 111.912 179.757 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.477 0.876 0 CA-C-N 111.738 -2.483 . . . . 0.0 106.729 179.167 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.241 0 O-C-N 127.52 3.379 . . . . 0.0 107.904 178.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.329 -0.495 0 CA-C-O 116.186 -1.673 . . . . 0.0 108.317 178.906 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.597 0 O-C-N 127.047 2.717 . . . . 0.0 112.179 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.291 -1.973 0 C-N-CA 126.705 2.002 . . . . 0.0 114.915 -174.508 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.675 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 175.001 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.285 0 O-C-N 124.877 1.361 . . . . 0.0 113.619 -175.738 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.255 1.385 0 CA-C-O 117.399 -1.286 . . . . 0.0 112.803 -179.426 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.304 0 CA-C-N 121.731 2.06 . . . . 0.0 114.944 179.616 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.311 -1.411 0 C-N-CA 122.138 1.892 . . . . 0.0 113.346 178.102 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.873 0 C-N-CA 129.752 3.221 . . . . 0.0 112.249 178.88 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.041 0 O-C-N 119.437 -2.039 . . . . 0.0 109.554 177.965 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.353 0 CA-C-O 115.573 -2.156 . . . . 0.0 109.235 179.727 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 127.445 2.966 . . . . 0.0 109.348 179.625 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.228 0 O-C-N 120.284 -1.51 . . . . 0.0 112.868 177.207 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-O 122.014 0.911 . . . . 0.0 113.334 179.014 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.26 0 C-N-CA 126.455 1.902 . . . . 0.0 109.302 179.717 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.787 0 O-C-N 125.084 1.49 . . . . 0.0 110.24 175.837 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.184 0 C-N-CA 127.093 2.157 . . . . 0.0 114.634 178.804 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 1.974 0 CA-C-O 117.112 -1.938 . . . . 0.0 112.371 178.474 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-N 118.118 0.959 . . . . 0.0 108.503 179.246 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 107.324 -1.361 . . . . 0.0 107.324 175.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.963 0 C-N-CA 123.936 0.895 . . . . 0.0 112.86 -179.527 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.486 0 N-CA-C 114.981 1.474 . . . . 0.0 114.981 -175.504 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.31 -1.109 0 C-N-CA 125.034 1.334 . . . . 0.0 108.093 175.052 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 177.224 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.928 0 CA-C-N 114.279 -1.328 . . . . 0.0 110.095 -179.883 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 115.995 -1.955 . . . . 0.0 112.342 178.771 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.572 0 C-N-CA 126.875 2.07 . . . . 0.0 116.563 -174.914 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.596 0 CA-C-O 122.768 1.27 . . . . 0.0 112.283 -178.911 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 122.35 2.033 . . . . 0.0 115.117 -179.515 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 177.637 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.422 0 N-CA-C 115.147 1.536 . . . . 0.0 115.147 178.377 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.11 0 O-C-N 118.361 -2.712 . . . . 0.0 114.618 -179.062 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.255 1.352 0 N-CA-C 115.967 1.839 . . . . 0.0 115.967 179.648 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.051 0 CA-C-N 120.306 1.145 . . . . 0.0 114.895 -179.616 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.262 1.025 . . . . 0.0 112.025 179.827 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 O-C-N 125.073 1.483 . . . . 0.0 111.453 -179.704 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.255 1.346 0 N-CA-C 116.88 2.178 . . . . 0.0 116.88 179.118 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 127.605 2.362 . . . . 0.0 115.613 -178.072 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.246 0.884 0 N-CA-C 117.144 2.276 . . . . 0.0 117.144 -178.586 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.066 0 CA-C-O 115.696 -2.724 . . . . 0.0 118.917 177.72 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.947 0 CA-C-N 124.152 3.976 . . . . 0.0 111.399 179.706 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-O 115.643 -2.122 . . . . 0.0 106.276 177.475 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.302 -1.497 0 O-C-N 125.515 1.76 . . . . 0.0 107.672 -178.958 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.49 0 O-C-N 125.762 1.914 . . . . 0.0 111.471 -179.678 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.304 -1.392 0 CA-C-O 122.064 0.935 . . . . 0.0 110.72 179.417 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.25 1.08 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 1.982 0 O-C-N 126.035 2.084 . . . . 0.0 116.171 -179.822 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.786 0 CA-C-O 117.933 -1.032 . . . . 0.0 112.594 -178.306 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 1.994 0 N-CA-C 107.787 -2.125 . . . . 0.0 107.787 -178.404 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 125.339 2.495 . . . . 0.0 112.702 -177.809 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.246 0.895 0 CA-C-N 110.902 -2.863 . . . . 0.0 110.43 179.232 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -1.002 0 O-C-N 126.375 2.297 . . . . 0.0 105.427 176.632 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.398 0 N-CA-C 117.814 2.524 . . . . 0.0 117.814 -176.539 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 178.785 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 103.846 -2.65 . . . . 0.0 103.846 177.021 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 CA-C-N 111.999 -2.364 . . . . 0.0 108.03 -179.317 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.335 0 N-CA-C 118.529 2.172 . . . . 0.0 118.529 -178.193 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.243 0.714 0 O-C-N 121.467 -1.02 . . . . 0.0 112.234 -179.662 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.632 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -177.205 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-O 124.242 1.972 . . . . 0.0 110.055 -179.781 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.894 0 CA-C-N 113.448 -1.705 . . . . 0.0 108.392 -178.382 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.463 0.475 0 CA-C-N 114.015 -1.448 . . . . 0.0 110.214 179.256 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 124.844 0.967 . . . . 0.0 110.013 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 1.0 0 CA-C-N 114.354 -1.294 . . . . 0.0 109.357 179.265 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.224 0 O-C-N 124.531 1.144 . . . . 0.0 110.158 178.908 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.84 0 N-CA-C 119.037 2.375 . . . . 0.0 119.037 -179.618 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.827 0 O-C-N 120.888 -1.36 . . . . 0.0 109.077 179.513 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 178.615 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.899 0 O-C-N 125.671 1.857 . . . . 0.0 110.214 179.131 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.319 0.58 . . . . 0.0 111.927 -179.186 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 115.711 -2.09 . . . . 0.0 108.783 -177.914 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.912 0 O-C-N 127.296 2.872 . . . . 0.0 110.394 178.692 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-O 117.685 -1.15 . . . . 0.0 109.62 -179.726 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 O-C-N 128.139 3.399 . . . . 0.0 112.86 -177.763 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.241 0 O-C-N 125.108 1.505 . . . . 0.0 111.726 -178.067 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 123.869 0.868 . . . . 0.0 110.211 178.202 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.971 0 N-CA-C 118.001 2.593 . . . . 0.0 118.001 175.673 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.311 -1.075 0 C-N-CA 124.083 0.953 . . . . 0.0 109.119 177.468 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 127.407 2.942 . . . . 0.0 111.346 -177.946 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 129.97 3.308 . . . . 0.0 108.98 178.314 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.246 0.89 0 O-C-N 126.743 2.527 . . . . 0.0 113.803 -178.127 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 115.309 1.596 . . . . 0.0 115.309 -178.445 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 124.781 1.301 . . . . 0.0 109.931 178.543 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.303 -1.424 0 C-N-CA 124.006 0.923 . . . . 0.0 109.2 179.015 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.861 0 C-N-CA 123.475 0.71 . . . . 0.0 112.7 -178.449 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-O 116.949 -1.5 . . . . 0.0 110.988 -177.833 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 CA-C-O 116.778 -1.582 . . . . 0.0 110.673 -176.939 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.165 0 CA-C-N 119.572 1.078 . . . . 0.0 112.847 -178.855 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 124.913 1.285 . . . . 0.0 111.699 -178.488 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 125.054 1.471 . . . . 0.0 108.292 -179.59 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 126.54 2.4 . . . . 0.0 111.61 -178.891 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 0.997 0 C-N-CA 120.174 -0.61 . . . . 0.0 110.506 177.558 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -177.795 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 125.621 1.568 . . . . 0.0 111.208 177.411 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.467 0.707 0 O-C-N 121.291 -0.88 . . . . 0.0 114.219 -179.401 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 179.183 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 119.81 -1.806 . . . . 0.0 109.623 -179.319 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 116.32 1.971 . . . . 0.0 116.32 -176.925 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.328 0 O-C-N 125.268 1.605 . . . . 0.0 110.303 -176.596 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 112.534 -2.121 . . . . 0.0 108.263 176.068 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 N-CA-C 104.496 -2.409 . . . . 0.0 104.496 178.509 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 125.403 1.689 . . . . 0.0 108.342 -177.724 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.291 0 O-C-N 125.894 1.996 . . . . 0.0 110.988 -175.565 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.462 0 O-C-N 126.302 2.738 . . . . 0.0 115.103 -176.546 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.504 0 O-C-N 120.4 -1.437 . . . . 0.0 113.779 177.716 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.256 1.397 0 N-CA-C 115.618 1.71 . . . . 0.0 115.618 -176.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.264 1.818 0 CA-C-O 115.103 -2.38 . . . . 0.0 112.804 -178.742 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.259 1.605 0 CA-C-N 120.932 1.696 . . . . 0.0 114.822 -177.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.045 0 C-N-CA 127.039 2.136 . . . . 0.0 111.227 -179.546 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.498 0 O-C-N 126.255 2.222 . . . . 0.0 110.461 -179.762 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 125.363 1.465 . . . . 0.0 107.054 177.923 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.722 0 C-N-CA 126.554 1.942 . . . . 0.0 112.62 178.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.169 0 CA-C-N 113.181 -1.827 . . . . 0.0 111.407 -177.654 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.309 -1.175 0 C-N-CA 123.869 0.868 . . . . 0.0 113.125 -179.141 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 104.161 -2.533 . . . . 0.0 104.161 177.436 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 104.846 -2.279 . . . . 0.0 104.846 178.649 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 128.438 3.586 . . . . 0.0 116.984 -175.603 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.316 0 N-CA-C 105.337 -3.105 . . . . 0.0 105.337 177.12 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.361 0 O-C-N 128.452 3.089 . . . . 0.0 106.53 179.83 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.244 0.776 0 C-N-CA 118.93 -1.108 . . . . 0.0 112.653 -177.609 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 177.562 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.819 0 CA-C-O 122.44 1.115 . . . . 0.0 108.061 176.464 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.447 -1.264 0 C-N-CA 121.487 1.458 . . . . 0.0 111.873 -179.731 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 176.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 105.335 -2.098 . . . . 0.0 105.335 177.519 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 122.775 1.274 . . . . 0.0 110.118 -176.934 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.25 1.128 0 CA-C-N 112.673 -2.058 . . . . 0.0 112.785 178.769 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.309 -1.194 0 CA-C-N 118.155 0.977 . . . . 0.0 110.742 179.558 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.962 0 O-C-N 123.49 1.258 . . . . 0.0 111.691 177.31 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.048 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 178.897 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.346 0 O-C-N 126.902 2.626 . . . . 0.0 112.21 -178.862 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.44 -1.674 0 N-CA-C 107.544 -1.752 . . . . 0.0 107.544 -179.927 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.947 0 O-C-N 128.082 3.364 . . . . 0.0 103.019 179.566 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 2.0 0 CA-C-O 115.996 -1.955 . . . . 0.0 108.815 179.394 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.544 1.856 0 N-CA-C 104.097 -3.601 . . . . 0.0 104.097 -179.506 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.533 0 CA-C-O 115.715 -2.088 . . . . 0.0 109.459 -177.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.733 0 N-CA-C 103.705 -2.702 . . . . 0.0 103.705 -179.323 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.498 -1.039 0 O-C-N 127.76 3.163 . . . . 0.0 113.515 -177.947 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 106.379 -1.711 . . . . 0.0 106.379 -178.102 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.501 2.986 0 O-C-N 126.295 2.247 . . . . 0.0 107.616 -179.171 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.194 -2.357 . . . . 0.0 110.271 -177.273 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--N 1.302 -1.486 0 N-CA-C 100.585 -3.858 . . . . 0.0 100.585 -174.92 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.304 0 CA-C-O 115.21 -2.079 . . . . 0.0 112.085 179.422 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.817 0 CA-C-N 120.756 1.616 . . . . 0.0 109.547 177.795 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.276 2.449 0 CA-C-N 112.858 -1.974 . . . . 0.0 110.555 178.333 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.296 0 O-C-N 120.924 -1.11 . . . . 0.0 110.43 178.573 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.151 0 O-C-N 125.802 1.939 . . . . 0.0 110.235 -178.352 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.101 0 O-C-N 127.014 2.696 . . . . 0.0 107.025 179.018 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.484 -1.569 0 CA-C-O 122.164 0.983 . . . . 0.0 112.881 177.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.887 0 O-C-N 117.484 -3.26 . . . . 0.0 114.584 179.644 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.812 0 O-C-N 125.598 1.811 . . . . 0.0 108.129 179.505 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.583 1 O-C-N 129.267 4.104 . . . . 0.0 109.734 179.204 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 120.072 -1.642 . . . . 0.0 111.882 179.075 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.519 0 C-N-CA 125.048 1.339 . . . . 0.0 112.749 178.766 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.288 -2.095 0 C-N-CA 128.053 2.74 . . . . 0.0 114.272 -179.106 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.269 0 C-N-CA 128.278 2.631 . . . . 0.0 111.492 -178.77 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 C-N-CA 117.569 -1.652 . . . . 0.0 107.354 179.958 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.085 0 CA-C-O 117.273 -1.346 . . . . 0.0 109.035 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.34 0 C-N-CA 122.928 2.419 . . . . 0.0 111.727 178.095 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 0.979 0 O-C-N 118.625 -2.547 . . . . 0.0 115.731 -177.451 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.053 0 C-N-CA 126.641 1.976 . . . . 0.0 110.938 178.839 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.931 0 C-N-CA 123.438 2.758 . . . . 0.0 115.484 177.872 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-N 121.285 1.857 . . . . 0.0 113.422 178.013 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 124.932 1.293 . . . . 0.0 108.024 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.832 0 C-N-CA 119.041 -1.063 . . . . 0.0 109.772 179.101 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.579 -0.7 . . . . 0.0 109.304 179.064 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 C--O 1.244 0.784 0 CA-C-N 114.263 -1.335 . . . . 0.0 109.714 179.861 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-N 119.617 1.099 . . . . 0.0 111.914 -177.958 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-O 117.114 -1.422 . . . . 0.0 111.862 -178.005 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 115.025 1.491 . . . . 0.0 115.025 -178.905 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.486 0 CA-C-N 114.58 -1.191 . . . . 0.0 109.161 179.771 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-O 124.839 2.257 . . . . 0.0 109.468 178.287 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.027 0 CA-C-N 112.721 -2.036 . . . . 0.0 111.311 178.738 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-N 121.113 1.779 . . . . 0.0 112.753 179.845 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.311 0 CA-C-O 118.428 -0.796 . . . . 0.0 112.3 -176.301 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 O-C-N 124.096 0.872 . . . . 0.0 109.117 -179.37 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-O 115.224 -2.322 . . . . 0.0 110.937 -178.153 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.219 0 O-C-N 127.613 3.07 . . . . 0.0 111.062 178.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.799 0 C-N-CA 127.403 2.281 . . . . 0.0 113.775 -177.176 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 125.941 2.025 . . . . 0.0 112.203 -179.913 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.255 1.433 0 CA-C-N 121.283 1.856 . . . . 0.0 114.779 179.841 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.566 0 C-N-CA 124.775 1.23 . . . . 0.0 111.418 179.565 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 178.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.216 0 N-CA-C 107.243 -1.391 . . . . 0.0 107.243 178.273 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.935 0 O-C-N 124.826 1.329 . . . . 0.0 110.065 -178.635 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-N 113.637 -1.62 . . . . 0.0 111.05 178.294 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.302 -1.473 0 C-N-CA 127.119 2.168 . . . . 0.0 112.52 -178.52 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 113.693 -1.594 . . . . 0.0 111.964 179.798 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.67 0 CA-C-O 116.8 -1.572 . . . . 0.0 111.688 -178.319 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 126.502 2.376 . . . . 0.0 107.56 178.887 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.437 -1.096 0 C-N-CA 126.43 1.892 . . . . 0.0 113.138 179.29 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.606 -179.203 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.308 -1.205 0 O-C-N 124.427 1.079 . . . . 0.0 108.196 178.124 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-O 116.578 -1.677 . . . . 0.0 112.113 179.07 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.257 1.499 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 -179.754 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 O-C-N 124.471 1.107 . . . . 0.0 111.109 -177.93 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.12 0 O-C-N 125.436 1.71 . . . . 0.0 111.373 -178.674 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.076 0 C-N-CA 127.278 2.231 . . . . 0.0 107.421 179.116 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 500' ' ' MXT . . . . . 0.918 ' O11' H231 ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 600' ' ' MXT . . . . . 0.426 ' O12' ' C22' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.924 ' N ' H111 ' A' ' 500' ' ' MXT . 43.4 t -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.325 0 O-C-N 125.664 1.852 . . . . 0.0 106.83 172.915 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.725 1 O-C-N 129.184 4.255 . . . . 0.0 107.935 -175.9 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.9 0 CA-C-N 120.998 1.726 . . . . 0.0 112.626 -179.158 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.502 2.165 0 CA-C-N 114.226 -1.352 . . . . 0.0 110.911 179.354 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.163 0 C-N-CA 126.947 2.099 . . . . 0.0 110.212 -177.718 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.452 0 O-C-N 120.868 -1.145 . . . . 0.0 109.844 -173.715 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.26 1.62 0 N-CA-C 105.932 -1.877 . . . . 0.0 105.932 -177.182 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 127.151 2.782 . . . . 0.0 107.79 -178.244 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.782 0 CA-C-O 115.454 -2.212 . . . . 0.0 106.422 176.95 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.544 1 O-C-N 130.651 4.97 . . . . 0.0 106.313 178.868 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.134 0 CA-C-O 113.753 -3.022 . . . . 0.0 105.858 -179.847 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.46 0 CA-C-N 121.109 1.777 . . . . 0.0 110.041 -177.782 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.783 0 O-C-N 125.866 1.978 . . . . 0.0 105.813 -176.606 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.254 1.326 0 O-C-N 127.497 2.998 . . . . 0.0 112.74 -176.319 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.961 0 O-C-N 127.231 2.832 . . . . 0.0 112.238 177.64 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 122.185 2.266 . . . . 0.0 111.876 -179.615 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.332 -0.186 0 O-C-N 126.626 2.454 . . . . 0.0 109.714 -174.915 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--O 1.243 0.752 0 C-N-CA 124.663 3.576 . . . . 0.0 111.946 179.735 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.832 0 CA-C-N 111.762 -2.472 . . . . 0.0 106.758 179.14 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.253 0 O-C-N 127.512 3.375 . . . . 0.0 107.918 178.956 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.329 -0.495 0 O-C-N 124.316 1.693 . . . . 0.0 108.307 178.875 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.426 -1.631 0 O-C-N 127.028 2.705 . . . . 0.0 112.172 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -2.007 0 C-N-CA 126.799 2.039 . . . . 0.0 114.96 -174.474 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.57 1.719 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 175.022 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 124.922 1.388 . . . . 0.0 113.656 -175.823 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.257 1.48 0 CA-C-O 117.372 -1.299 . . . . 0.0 112.755 -179.403 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.253 1.269 0 CA-C-N 121.809 2.095 . . . . 0.0 114.961 179.572 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.464 0 C-N-CA 122.176 1.917 . . . . 0.0 113.309 178.082 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.292 -1.893 0 C-N-CA 129.796 3.239 . . . . 0.0 112.278 178.871 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.043 0 O-C-N 119.439 -2.038 . . . . 0.0 109.522 177.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.559 1.301 0 CA-C-O 115.589 -2.148 . . . . 0.0 109.241 179.734 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 127.351 2.907 . . . . 0.0 109.374 179.563 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.212 0 O-C-N 120.284 -1.51 . . . . 0.0 112.891 177.211 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-O 122.045 0.926 . . . . 0.0 113.357 178.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.263 0 C-N-CA 126.504 1.922 . . . . 0.0 109.263 179.739 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.768 0 O-C-N 125.17 1.544 . . . . 0.0 110.256 175.878 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.149 0 C-N-CA 127.11 2.164 . . . . 0.0 114.619 178.789 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.012 0 CA-C-O 117.089 -1.951 . . . . 0.0 112.345 178.475 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-N 118.099 0.95 . . . . 0.0 108.513 179.283 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 107.243 -1.391 . . . . 0.0 107.243 176.022 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.953 0 C-N-CA 123.922 0.889 . . . . 0.0 112.896 -179.515 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.462 0 N-CA-C 114.99 1.478 . . . . 0.0 114.99 -175.544 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.31 -1.111 0 C-N-CA 125.047 1.339 . . . . 0.0 108.099 175.066 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 177.246 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.955 0 CA-C-N 114.264 -1.335 . . . . 0.0 110.091 -179.943 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-O 116.043 -1.932 . . . . 0.0 112.334 178.787 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.278 -2.536 0 N-CA-C 116.585 2.069 . . . . 0.0 116.585 -174.931 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.586 0 CA-C-O 122.717 1.246 . . . . 0.0 112.324 -178.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 122.358 2.038 . . . . 0.0 115.119 -179.533 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 177.649 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.408 0 N-CA-C 115.192 1.553 . . . . 0.0 115.192 178.337 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.114 0 O-C-N 118.304 -2.747 . . . . 0.0 114.628 -179.107 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.338 0 N-CA-C 115.992 1.849 . . . . 0.0 115.992 179.719 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.502 -1.08 0 CA-C-N 120.309 1.146 . . . . 0.0 114.862 -179.678 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.251 1.02 . . . . 0.0 112.05 179.852 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 O-C-N 125.099 1.499 . . . . 0.0 111.469 -179.74 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.341 0 N-CA-C 116.896 2.184 . . . . 0.0 116.896 179.155 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 127.626 2.37 . . . . 0.0 115.563 -178.066 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.84 0 N-CA-C 117.155 2.28 . . . . 0.0 117.155 -178.587 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.482 -2.015 0 CA-C-O 115.67 -2.739 . . . . 0.0 118.884 177.668 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.954 0 CA-C-N 124.132 3.966 . . . . 0.0 111.409 179.726 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-O 115.596 -2.145 . . . . 0.0 106.299 177.537 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.3 -1.546 0 O-C-N 125.514 1.759 . . . . 0.0 107.634 -179.009 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.256 1.44 0 O-C-N 125.809 1.943 . . . . 0.0 111.468 -179.61 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-O 122.063 0.935 . . . . 0.0 110.715 179.469 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.073 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 -179.933 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 2.01 0 O-C-N 125.989 2.055 . . . . 0.0 116.231 -179.809 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.788 0 CA-C-O 117.93 -1.033 . . . . 0.0 112.563 -178.265 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 1.973 0 N-CA-C 107.811 -2.116 . . . . 0.0 107.811 -178.416 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 125.344 2.497 . . . . 0.0 112.683 -177.823 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.246 0.871 0 CA-C-N 110.888 -2.869 . . . . 0.0 110.47 179.196 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -0.99 0 O-C-N 126.374 2.296 . . . . 0.0 105.417 176.66 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.399 0 N-CA-C 117.83 2.53 . . . . 0.0 117.83 -176.567 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 178.826 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 103.816 -2.661 . . . . 0.0 103.816 177.051 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 CA-C-N 112.03 -2.35 . . . . 0.0 108.056 -179.35 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.252 1.275 0 N-CA-C 118.525 2.17 . . . . 0.0 118.525 -178.213 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.679 0 O-C-N 121.438 -1.037 . . . . 0.0 112.277 -179.683 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.667 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -177.198 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.826 0 CA-C-O 124.212 1.958 . . . . 0.0 110.063 -179.821 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.895 0 CA-C-N 113.421 -1.718 . . . . 0.0 108.38 -178.373 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 C--N 1.318 -0.421 0 CA-C-N 114.081 -1.418 . . . . 0.0 110.222 179.255 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 124.777 0.928 . . . . 0.0 110.025 179.884 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 1.001 0 CA-C-N 114.391 -1.277 . . . . 0.0 109.33 179.306 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.216 0 O-C-N 124.544 1.152 . . . . 0.0 110.163 178.891 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.86 0 N-CA-C 119.043 2.377 . . . . 0.0 119.043 -179.653 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.841 0 O-C-N 120.885 -1.362 . . . . 0.0 109.097 179.506 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 107.115 -1.439 . . . . 0.0 107.115 178.571 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.266 1.935 0 O-C-N 125.666 1.854 . . . . 0.0 110.223 179.135 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.339 0.59 . . . . 0.0 111.897 -179.164 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 115.691 -2.099 . . . . 0.0 108.795 -177.947 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.904 0 O-C-N 127.258 2.849 . . . . 0.0 110.374 178.747 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-O 117.682 -1.152 . . . . 0.0 109.631 -179.772 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 O-C-N 128.141 3.4 . . . . 0.0 112.814 -177.726 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.28 0 O-C-N 125.183 1.552 . . . . 0.0 111.708 -178.025 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 123.878 0.871 . . . . 0.0 110.177 178.301 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 118.011 2.596 . . . . 0.0 118.011 175.681 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.311 -1.066 0 C-N-CA 124.088 0.955 . . . . 0.0 109.092 177.513 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 127.41 2.944 . . . . 0.0 111.348 -177.938 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.389 0 C-N-CA 130.027 3.331 . . . . 0.0 108.989 178.332 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.927 0 O-C-N 126.737 2.523 . . . . 0.0 113.78 -178.124 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 115.291 1.589 . . . . 0.0 115.291 -178.431 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 124.699 1.25 . . . . 0.0 109.918 178.546 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.303 -1.426 0 C-N-CA 124.024 0.93 . . . . 0.0 109.17 179.027 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 123.489 0.716 . . . . 0.0 112.73 -178.502 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-O 117.045 -1.455 . . . . 0.0 111.034 -177.863 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.645 0 CA-C-O 116.788 -1.577 . . . . 0.0 110.717 -176.959 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.147 0 CA-C-N 119.522 1.056 . . . . 0.0 112.813 -178.862 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 124.971 1.308 . . . . 0.0 111.668 -178.447 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 125.011 1.445 . . . . 0.0 108.33 -179.6 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 126.524 2.39 . . . . 0.0 111.604 -178.927 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.249 1.039 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.492 177.547 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 -177.746 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.503 0 C-N-CA 125.615 1.566 . . . . 0.0 111.258 177.384 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 C--O 1.243 0.668 0 O-C-N 121.296 -0.877 . . . . 0.0 114.258 -179.437 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.634 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 179.2 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 119.762 -1.837 . . . . 0.0 109.679 -179.4 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 116.354 1.983 . . . . 0.0 116.354 -176.929 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 125.276 1.61 . . . . 0.0 110.329 -176.614 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--O 1.211 -0.925 0 CA-C-N 112.588 -2.096 . . . . 0.0 108.281 176.021 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 N-CA-C 104.503 -2.406 . . . . 0.0 104.503 178.494 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 125.379 1.675 . . . . 0.0 108.279 -177.654 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.301 0 O-C-N 125.969 2.043 . . . . 0.0 110.965 -175.559 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.437 0 O-C-N 126.239 2.705 . . . . 0.0 115.04 -176.527 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.541 0 O-C-N 120.455 -1.403 . . . . 0.0 113.822 177.669 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.256 1.401 0 N-CA-C 115.627 1.714 . . . . 0.0 115.627 -176.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 115.06 -2.4 . . . . 0.0 112.779 -178.741 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.261 1.678 0 CA-C-N 120.915 1.689 . . . . 0.0 114.842 -178.002 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.311 -1.067 0 C-N-CA 127.025 2.13 . . . . 0.0 111.177 -179.534 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 O-C-N 126.267 2.229 . . . . 0.0 110.438 -179.698 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 125.336 1.455 . . . . 0.0 107.088 177.883 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.261 1.701 0 C-N-CA 126.615 1.966 . . . . 0.0 112.579 179.02 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.161 0 CA-C-N 113.187 -1.824 . . . . 0.0 111.394 -177.657 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.309 -1.181 0 C-N-CA 123.852 0.861 . . . . 0.0 113.145 -179.087 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 N-CA-C 104.162 -2.532 . . . . 0.0 104.162 177.428 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 104.825 -2.287 . . . . 0.0 104.825 178.655 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 128.536 3.647 . . . . 0.0 116.979 -175.63 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.584 4.348 0 N-CA-C 105.346 -3.102 . . . . 0.0 105.346 177.097 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.273 2.328 0 O-C-N 128.516 3.127 . . . . 0.0 106.555 179.82 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.817 0 C-N-CA 118.926 -1.11 . . . . 0.0 112.678 -177.59 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 177.562 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.244 0.802 0 CA-C-O 122.506 1.146 . . . . 0.0 108.084 176.423 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.265 0 C-N-CA 121.508 1.472 . . . . 0.0 111.858 -179.695 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 177.039 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 105.308 -2.108 . . . . 0.0 105.308 177.538 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 122.781 1.277 . . . . 0.0 110.135 -176.923 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.201 0 CA-C-N 112.686 -2.052 . . . . 0.0 112.759 179.3 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.215 0 CA-C-N 118.197 0.998 . . . . 0.0 110.723 179.82 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.453 -0.887 0 O-C-N 123.484 1.255 . . . . 0.0 111.66 177.276 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.024 0 N-CA-C 103.181 -2.896 . . . . 0.0 103.181 178.641 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.332 0 O-C-N 126.868 2.605 . . . . 0.0 112.25 -178.944 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.44 -1.67 0 N-CA-C 107.574 -1.741 . . . . 0.0 107.574 -178.781 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.941 0 O-C-N 128.108 3.38 . . . . 0.0 102.993 179.83 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 2.02 0 CA-C-O 115.966 -1.969 . . . . 0.0 108.82 -179.605 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 C--N 1.293 -1.839 0 N-CA-C 104.103 -3.599 . . . . 0.0 104.103 -179.678 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.545 0 CA-C-O 115.664 -2.112 . . . . 0.0 109.508 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.724 0 N-CA-C 103.719 -2.697 . . . . 0.0 103.719 -175.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.498 -1.05 0 O-C-N 127.76 3.163 . . . . 0.0 113.533 -176.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 -177.704 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.942 0 O-C-N 126.331 2.269 . . . . 0.0 107.603 -178.863 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 120.454 -1.615 . . . . 0.0 110.271 -179.011 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.255 1.352 0 N-CA-C 100.631 -3.84 . . . . 0.0 100.631 178.877 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 C--N 1.314 -1.26 0 CA-C-O 115.212 -2.078 . . . . 0.0 112.105 -179.531 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.817 0 CA-C-N 120.745 1.611 . . . . 0.0 109.604 177.756 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.276 2.449 0 CA-C-N 112.799 -2.0 . . . . 0.0 110.598 178.318 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.305 0 O-C-N 120.945 -1.097 . . . . 0.0 110.429 178.588 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.556 1.196 0 O-C-N 125.765 1.916 . . . . 0.0 110.267 -178.36 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.092 0 O-C-N 127.099 2.749 . . . . 0.0 107.036 178.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.597 0 CA-C-O 122.159 0.98 . . . . 0.0 112.892 177.916 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.921 0 O-C-N 117.473 -3.267 . . . . 0.0 114.553 179.715 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.571 1.768 0 O-C-N 125.574 1.796 . . . . 0.0 108.185 179.466 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.566 1 O-C-N 129.198 4.061 . . . . 0.0 109.783 179.167 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 120.033 -1.667 . . . . 0.0 111.837 179.089 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 125.137 1.375 . . . . 0.0 112.731 178.736 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.059 0 C-N-CA 128.002 2.715 . . . . 0.0 114.293 -178.877 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.273 2.305 0 C-N-CA 128.258 2.623 . . . . 0.0 111.499 -178.12 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 C-N-CA 117.63 -1.628 . . . . 0.0 107.413 179.686 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.287 -2.129 0 CA-C-O 117.254 -1.355 . . . . 0.0 109.0 179.364 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.332 0 C-N-CA 122.878 2.385 . . . . 0.0 111.744 179.73 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 0.988 0 O-C-N 118.718 -2.489 . . . . 0.0 115.701 -176.868 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.041 0 C-N-CA 126.669 1.988 . . . . 0.0 110.851 -179.67 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.962 0 C-N-CA 123.426 2.75 . . . . 0.0 115.462 177.902 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 121.331 1.878 . . . . 0.0 113.467 178.003 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 124.971 1.308 . . . . 0.0 108.041 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.84 0 C-N-CA 119.039 -1.064 . . . . 0.0 109.792 179.071 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.603 -0.686 . . . . 0.0 109.274 179.083 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 114.221 -1.354 . . . . 0.0 109.7 179.856 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 119.604 1.093 . . . . 0.0 111.977 -177.955 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-O 117.048 -1.453 . . . . 0.0 111.865 -178.026 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 -178.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.448 0 CA-C-N 114.583 -1.189 . . . . 0.0 109.165 179.72 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-O 124.842 2.258 . . . . 0.0 109.392 178.359 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.026 0 CA-C-N 112.754 -2.021 . . . . 0.0 111.306 178.81 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-N 121.141 1.791 . . . . 0.0 112.707 179.833 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.314 0 CA-C-O 118.414 -0.803 . . . . 0.0 112.252 -176.272 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.225 0 O-C-N 124.107 0.879 . . . . 0.0 109.098 -179.319 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-O 115.229 -2.32 . . . . 0.0 110.919 -178.114 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.237 0 O-C-N 127.588 3.055 . . . . 0.0 110.986 178.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.797 0 C-N-CA 127.45 2.3 . . . . 0.0 113.758 -177.137 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 125.967 2.042 . . . . 0.0 112.187 -179.884 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.349 0 CA-C-N 121.299 1.863 . . . . 0.0 114.844 179.859 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.59 0 C-N-CA 124.791 1.236 . . . . 0.0 111.417 179.591 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 107.126 -1.435 . . . . 0.0 107.126 178.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.209 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 178.161 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 O-C-N 124.797 1.311 . . . . 0.0 110.021 -178.633 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 113.658 -1.61 . . . . 0.0 111.05 178.334 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.522 0 C-N-CA 127.136 2.174 . . . . 0.0 112.562 -178.569 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 113.675 -1.602 . . . . 0.0 111.97 179.779 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-O 116.81 -1.567 . . . . 0.0 111.734 -178.33 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 126.483 2.364 . . . . 0.0 107.561 178.876 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.073 0 C-N-CA 126.423 1.889 . . . . 0.0 113.186 179.239 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.632 -179.238 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.195 0 O-C-N 124.434 1.084 . . . . 0.0 108.188 178.145 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-O 116.591 -1.671 . . . . 0.0 112.103 179.096 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.521 0 N-CA-C 115.894 1.813 . . . . 0.0 115.894 -179.739 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 O-C-N 124.478 1.111 . . . . 0.0 111.087 -177.926 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.128 0 O-C-N 125.437 1.71 . . . . 0.0 111.375 -178.636 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.092 0 C-N-CA 127.361 2.264 . . . . 0.0 107.433 179.108 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 500' ' ' MXT . . . . . 0.924 H111 ' N ' ' A' ' 41' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 600' ' ' MXT . . . . . 0.899 ' O11' H231 ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.78 ' HA ' ' C12' ' A' ' 500' ' ' MXT . 0.0 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 1.265 ' N ' H121 ' A' ' 500' ' ' MXT . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.299 0 O-C-N 125.664 1.852 . . . . 0.0 106.864 170.657 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.767 1 O-C-N 129.199 4.263 . . . . 0.0 107.963 -176.283 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.9 0 CA-C-N 120.954 1.706 . . . . 0.0 112.587 -178.442 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.195 0 CA-C-N 114.221 -1.354 . . . . 0.0 110.926 -178.835 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.199 0 C-N-CA 126.953 2.101 . . . . 0.0 110.207 -177.915 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.256 1.435 0 O-C-N 120.85 -1.156 . . . . 0.0 109.836 179.233 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.553 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 -178.468 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 127.092 2.745 . . . . 0.0 107.822 179.257 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.786 0 CA-C-O 115.457 -2.211 . . . . 0.0 106.443 179.511 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.558 1 O-C-N 130.664 4.977 . . . . 0.0 106.287 177.347 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.126 0 CA-C-O 113.694 -3.051 . . . . 0.0 105.894 -179.831 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-N 121.205 1.821 . . . . 0.0 110.01 -177.759 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.802 0 O-C-N 125.885 1.991 . . . . 0.0 105.776 -176.62 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.391 0 O-C-N 127.525 3.015 . . . . 0.0 112.759 -176.376 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.265 1.911 0 O-C-N 127.254 2.846 . . . . 0.0 112.269 177.645 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.316 -0.89 0 O-C-N 119.091 -2.255 . . . . 0.0 111.899 -179.678 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.331 -0.215 0 O-C-N 126.652 2.47 . . . . 0.0 109.704 -174.852 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.73 0 C-N-CA 124.646 3.564 . . . . 0.0 111.952 179.735 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.84 0 CA-C-N 111.764 -2.471 . . . . 0.0 106.729 179.141 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.241 0 O-C-N 127.503 3.37 . . . . 0.0 107.91 178.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.329 -0.497 0 C-N-CA 121.836 1.691 . . . . 0.0 108.304 178.854 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.605 0 O-C-N 127.031 2.707 . . . . 0.0 112.178 179.916 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.984 0 C-N-CA 126.69 1.996 . . . . 0.0 114.915 -174.518 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.705 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 175.06 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 124.853 1.346 . . . . 0.0 113.629 -175.777 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.255 1.39 0 CA-C-O 117.475 -1.25 . . . . 0.0 112.8 -179.38 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.253 1.251 0 CA-C-N 121.691 2.041 . . . . 0.0 114.942 179.636 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.311 -1.427 0 C-N-CA 122.135 1.89 . . . . 0.0 113.315 178.148 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.292 -1.896 0 C-N-CA 129.763 3.225 . . . . 0.0 112.288 178.854 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.055 0 O-C-N 119.402 -2.061 . . . . 0.0 109.547 177.958 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.331 0 CA-C-O 115.594 -2.146 . . . . 0.0 109.235 179.749 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 127.356 2.91 . . . . 0.0 109.386 179.553 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.253 1.242 0 O-C-N 120.346 -1.471 . . . . 0.0 112.868 177.213 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-O 122.062 0.934 . . . . 0.0 113.356 179.044 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.24 0 C-N-CA 126.424 1.89 . . . . 0.0 109.276 179.716 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.776 0 O-C-N 125.13 1.519 . . . . 0.0 110.207 175.88 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.269 2.099 0 C-N-CA 127.099 2.16 . . . . 0.0 114.591 178.862 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 1.993 0 CA-C-O 117.093 -1.948 . . . . 0.0 112.383 178.484 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 118.093 0.946 . . . . 0.0 108.475 179.282 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 176.036 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.938 0 C-N-CA 123.946 0.899 . . . . 0.0 112.851 -179.521 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.256 1.442 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 -175.495 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.095 0 C-N-CA 125.01 1.324 . . . . 0.0 108.108 175.061 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 177.272 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.942 0 CA-C-N 114.326 -1.306 . . . . 0.0 110.104 -179.878 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-O 115.952 -1.975 . . . . 0.0 112.319 178.839 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.566 0 N-CA-C 116.548 2.055 . . . . 0.0 116.548 -174.895 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.594 0 CA-C-O 122.735 1.255 . . . . 0.0 112.275 -178.893 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 122.356 2.037 . . . . 0.0 115.139 -179.56 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 177.615 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.442 0 N-CA-C 115.173 1.546 . . . . 0.0 115.173 178.321 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.098 0 O-C-N 118.295 -2.753 . . . . 0.0 114.671 -179.11 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.293 0 N-CA-C 115.999 1.852 . . . . 0.0 115.999 179.68 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.025 0 CA-C-N 120.252 1.126 . . . . 0.0 114.828 -179.638 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.292 1.037 . . . . 0.0 112.015 179.903 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 O-C-N 125.081 1.488 . . . . 0.0 111.477 -179.742 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.294 0 N-CA-C 116.97 2.211 . . . . 0.0 116.97 179.088 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 127.584 2.354 . . . . 0.0 115.615 -178.091 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.246 0.87 0 N-CA-C 117.14 2.274 . . . . 0.0 117.14 -178.58 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.07 0 CA-C-O 115.66 -2.745 . . . . 0.0 118.853 177.674 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.957 0 CA-C-N 124.198 3.999 . . . . 0.0 111.375 179.736 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-O 115.609 -2.138 . . . . 0.0 106.29 177.47 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.528 0 O-C-N 125.517 1.76 . . . . 0.0 107.607 -178.937 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.258 1.505 0 O-C-N 125.755 1.909 . . . . 0.0 111.484 -179.633 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-O 122.04 0.924 . . . . 0.0 110.696 179.447 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.076 0 N-CA-C 106.778 -1.564 . . . . 0.0 106.778 -179.931 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.266 1.948 0 O-C-N 125.998 2.061 . . . . 0.0 116.25 -179.859 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.813 0 CA-C-O 117.932 -1.032 . . . . 0.0 112.581 -178.239 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.484 1.894 0 N-CA-C 107.836 -2.106 . . . . 0.0 107.836 -178.379 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 125.316 2.484 . . . . 0.0 112.709 -177.84 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.858 0 CA-C-N 110.897 -2.865 . . . . 0.0 110.401 179.231 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -0.994 0 O-C-N 126.398 2.311 . . . . 0.0 105.429 176.635 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.379 0 N-CA-C 117.777 2.51 . . . . 0.0 117.777 -176.49 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 178.784 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 103.821 -2.659 . . . . 0.0 103.821 177.026 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 CA-C-N 111.971 -2.377 . . . . 0.0 108.035 -179.348 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.297 0 N-CA-C 118.553 2.181 . . . . 0.0 118.553 -178.237 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.243 0.715 0 O-C-N 121.478 -1.013 . . . . 0.0 112.253 -179.666 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.644 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -177.167 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.845 0 CA-C-O 124.216 1.96 . . . . 0.0 110.048 -179.766 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.879 0 CA-C-N 113.441 -1.709 . . . . 0.0 108.356 -178.346 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.463 0.476 0 CA-C-N 114.012 -1.449 . . . . 0.0 110.143 179.323 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.328 -0.326 0 O-C-N 124.846 0.969 . . . . 0.0 110.05 179.898 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.981 0 CA-C-N 114.357 -1.292 . . . . 0.0 109.363 179.336 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.213 0 O-C-N 124.557 1.161 . . . . 0.0 110.222 178.856 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.844 0 N-CA-C 119.031 2.373 . . . . 0.0 119.031 -179.665 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.841 0 O-C-N 120.904 -1.351 . . . . 0.0 109.072 179.509 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 178.606 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.911 0 O-C-N 125.701 1.875 . . . . 0.0 110.223 179.162 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.321 0.581 . . . . 0.0 111.872 -179.164 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 115.699 -2.096 . . . . 0.0 108.794 -177.905 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.908 0 O-C-N 127.301 2.875 . . . . 0.0 110.398 178.693 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 117.658 -1.163 . . . . 0.0 109.613 -179.744 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 O-C-N 128.184 3.427 . . . . 0.0 112.832 -177.721 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.254 1.291 0 O-C-N 125.105 1.503 . . . . 0.0 111.729 -178.071 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 123.88 0.872 . . . . 0.0 110.178 178.289 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.94 0 N-CA-C 117.991 2.589 . . . . 0.0 117.991 175.659 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.065 0 C-N-CA 124.099 0.96 . . . . 0.0 109.08 177.53 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 127.438 2.961 . . . . 0.0 111.381 -177.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.407 0 C-N-CA 130.029 3.332 . . . . 0.0 108.994 178.317 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.937 0 O-C-N 126.735 2.522 . . . . 0.0 113.771 -178.092 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 115.283 1.586 . . . . 0.0 115.283 -178.413 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 124.708 1.255 . . . . 0.0 109.922 178.522 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.303 -1.444 0 C-N-CA 124.008 0.923 . . . . 0.0 109.182 179.025 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.89 0 C-N-CA 123.473 0.709 . . . . 0.0 112.68 -178.476 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-O 116.949 -1.501 . . . . 0.0 110.999 -177.835 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.679 0 CA-C-O 116.769 -1.586 . . . . 0.0 110.711 -176.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.252 1.202 0 CA-C-N 119.569 1.077 . . . . 0.0 112.88 -178.915 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 124.988 1.315 . . . . 0.0 111.686 -178.491 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 125.044 1.465 . . . . 0.0 108.302 -179.571 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 126.515 2.384 . . . . 0.0 111.642 -178.952 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.025 0 C-N-CA 120.155 -0.618 . . . . 0.0 110.484 177.591 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 -177.719 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 125.637 1.575 . . . . 0.0 111.251 177.39 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.466 0.656 0 O-C-N 121.295 -0.878 . . . . 0.0 114.245 -179.428 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 179.202 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 119.882 -1.762 . . . . 0.0 109.633 -179.339 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.44 -0.928 0 N-CA-C 116.386 1.995 . . . . 0.0 116.386 -176.948 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 125.308 1.63 . . . . 0.0 110.273 -176.687 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 112.514 -2.13 . . . . 0.0 108.332 176.014 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 N-CA-C 104.506 -2.405 . . . . 0.0 104.506 178.507 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 125.358 1.661 . . . . 0.0 108.303 -177.713 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.289 0 O-C-N 125.896 1.998 . . . . 0.0 110.957 -175.497 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.474 -2.482 0 O-C-N 126.248 2.709 . . . . 0.0 115.035 -176.524 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.522 0 O-C-N 120.434 -1.416 . . . . 0.0 113.847 177.664 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.256 1.398 0 N-CA-C 115.567 1.692 . . . . 0.0 115.567 -176.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.264 1.821 0 CA-C-O 115.105 -2.379 . . . . 0.0 112.785 -178.685 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.615 0 CA-C-N 120.885 1.675 . . . . 0.0 114.859 -178.0 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.044 0 C-N-CA 127.035 2.134 . . . . 0.0 111.196 -179.561 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 O-C-N 126.265 2.228 . . . . 0.0 110.445 -179.682 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 125.374 1.47 . . . . 0.0 107.101 177.813 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.711 0 C-N-CA 126.614 1.965 . . . . 0.0 112.58 179.032 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.252 1.201 0 CA-C-N 113.182 -1.826 . . . . 0.0 111.389 -177.691 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.144 0 C-N-CA 123.826 0.85 . . . . 0.0 113.175 -179.085 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 104.168 -2.53 . . . . 0.0 104.168 177.425 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 104.871 -2.27 . . . . 0.0 104.871 178.571 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 128.464 3.603 . . . . 0.0 117.018 -175.635 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.296 0 N-CA-C 105.307 -3.117 . . . . 0.0 105.307 177.069 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.273 2.316 0 O-C-N 128.509 3.123 . . . . 0.0 106.506 179.767 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.83 0 C-N-CA 118.971 -1.091 . . . . 0.0 112.746 -177.618 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.789 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 177.553 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.244 0.793 0 CA-C-O 122.449 1.118 . . . . 0.0 108.1 176.429 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 121.465 1.443 . . . . 0.0 111.898 -179.752 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 177.025 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 105.357 -2.09 . . . . 0.0 105.357 177.481 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 122.759 1.266 . . . . 0.0 110.073 -176.914 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.193 0 CA-C-N 112.639 -2.073 . . . . 0.0 112.808 179.018 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.309 -1.186 0 CA-C-N 118.196 0.998 . . . . 0.0 110.748 179.597 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.451 -0.977 0 O-C-N 123.505 1.266 . . . . 0.0 111.66 177.314 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 103.117 -2.92 . . . . 0.0 103.117 178.618 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.306 -1.31 0 O-C-N 126.862 2.601 . . . . 0.0 112.253 -178.886 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.44 -1.662 0 N-CA-C 107.574 -1.741 . . . . 0.0 107.574 -179.941 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.292 -1.925 0 O-C-N 128.066 3.354 . . . . 0.0 102.992 179.475 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.266 1.945 0 CA-C-O 116.014 -1.946 . . . . 0.0 108.806 178.835 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.544 1.876 0 N-CA-C 104.061 -3.616 . . . . 0.0 104.061 -178.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.513 0 CA-C-O 115.706 -2.093 . . . . 0.0 109.475 -178.939 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.737 0 N-CA-C 103.679 -2.712 . . . . 0.0 103.679 -178.628 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.092 0 O-C-N 127.744 3.152 . . . . 0.0 113.536 -179.107 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 -177.837 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.914 0 O-C-N 126.308 2.255 . . . . 0.0 107.621 -179.35 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.351 -2.264 . . . . 0.0 110.271 -177.55 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--N 1.305 -1.351 0 O-C-N 116.365 -3.96 . . . . 0.0 100.621 -173.123 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.317 0 CA-C-O 115.234 -2.069 . . . . 0.0 112.091 179.925 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.819 0 CA-C-N 120.7 1.591 . . . . 0.0 109.563 177.803 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.42 0 CA-C-N 112.789 -2.005 . . . . 0.0 110.61 178.305 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.292 0 O-C-N 120.912 -1.117 . . . . 0.0 110.467 178.518 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.556 1.201 0 O-C-N 125.861 1.976 . . . . 0.0 110.221 -178.321 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.07 0 O-C-N 127.057 2.723 . . . . 0.0 107.055 178.952 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.484 -1.592 0 CA-C-O 122.232 1.015 . . . . 0.0 112.94 177.896 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.44 -0.927 0 O-C-N 117.483 -3.261 . . . . 0.0 114.596 179.697 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.805 0 O-C-N 125.615 1.822 . . . . 0.0 108.146 179.484 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.582 1 O-C-N 129.285 4.116 . . . . 0.0 109.753 179.214 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 120.033 -1.667 . . . . 0.0 111.885 179.024 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 125.134 1.374 . . . . 0.0 112.77 178.738 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.29 -2.006 0 C-N-CA 127.968 2.699 . . . . 0.0 114.354 -178.798 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.281 0 C-N-CA 128.232 2.613 . . . . 0.0 111.489 -178.775 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 C-N-CA 117.597 -1.641 . . . . 0.0 107.394 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.287 -2.12 0 CA-C-O 117.262 -1.352 . . . . 0.0 109.011 179.906 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 N--CA 1.49 1.31 0 C-N-CA 122.854 2.37 . . . . 0.0 111.725 179.349 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.026 0 O-C-N 118.682 -2.511 . . . . 0.0 115.686 -178.068 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.041 0 C-N-CA 126.613 1.965 . . . . 0.0 110.903 -179.112 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.942 0 C-N-CA 123.37 2.713 . . . . 0.0 115.545 179.053 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-N 121.277 1.853 . . . . 0.0 113.417 177.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.803 0 C-N-CA 124.976 1.31 . . . . 0.0 108.014 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.834 0 C-N-CA 119.086 -1.046 . . . . 0.0 109.748 179.102 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.585 -0.697 . . . . 0.0 109.304 179.108 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-N 114.214 -1.357 . . . . 0.0 109.763 179.831 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 119.612 1.096 . . . . 0.0 111.941 -178.004 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 117.061 -1.447 . . . . 0.0 111.82 -178.01 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 -178.945 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.45 0 CA-C-N 114.57 -1.196 . . . . 0.0 109.19 179.724 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-O 124.888 2.28 . . . . 0.0 109.45 178.278 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.497 -1.064 0 CA-C-N 112.745 -2.025 . . . . 0.0 111.333 178.756 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.725 0 CA-C-N 121.155 1.798 . . . . 0.0 112.749 179.858 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.29 0 CA-C-O 118.428 -0.796 . . . . 0.0 112.272 -176.314 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 O-C-N 124.061 0.851 . . . . 0.0 109.066 -179.331 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-O 115.178 -2.344 . . . . 0.0 110.858 -178.077 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.235 0 O-C-N 127.556 3.035 . . . . 0.0 111.057 178.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.773 0 C-N-CA 127.32 2.248 . . . . 0.0 113.751 -177.122 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 125.927 2.017 . . . . 0.0 112.221 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.255 1.42 0 CA-C-N 121.275 1.852 . . . . 0.0 114.817 179.84 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.581 0 C-N-CA 124.812 1.245 . . . . 0.0 111.422 179.571 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 107.151 -1.426 . . . . 0.0 107.151 178.928 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.307 -1.243 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 178.256 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 O-C-N 124.823 1.327 . . . . 0.0 110.043 -178.623 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 113.663 -1.608 . . . . 0.0 111.023 178.338 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 127.125 2.17 . . . . 0.0 112.531 -178.566 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 113.735 -1.575 . . . . 0.0 111.966 179.766 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.241 0.652 0 CA-C-O 116.792 -1.575 . . . . 0.0 111.724 -178.292 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 126.501 2.376 . . . . 0.0 107.569 178.883 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 C--N 1.313 -1.013 0 C-N-CA 126.372 1.869 . . . . 0.0 113.124 179.23 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.625 -179.19 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.308 -1.198 0 O-C-N 124.429 1.081 . . . . 0.0 108.218 178.116 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-O 116.524 -1.703 . . . . 0.0 112.101 179.038 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.511 0 N-CA-C 115.868 1.803 . . . . 0.0 115.868 -179.721 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 O-C-N 124.433 1.083 . . . . 0.0 111.146 -177.928 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.133 0 O-C-N 125.441 1.713 . . . . 0.0 111.361 -178.68 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.089 0 C-N-CA 127.306 2.242 . . . . 0.0 107.421 179.128 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 500' ' ' MXT . . . . . 1.265 H121 ' N ' ' A' ' 42' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 600' ' ' MXT . . . . . 0.463 ' O12' H221 ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 1.001 ' HA ' H122 ' A' ' 500' ' ' MXT . 0.5 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.31 0 O-C-N 125.664 1.852 . . . . 0.0 106.838 164.205 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.73 1 O-C-N 129.14 4.231 . . . . 0.0 107.988 -171.311 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.937 0 CA-C-N 121.017 1.735 . . . . 0.0 112.663 -178.85 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.186 0 CA-C-N 114.25 -1.341 . . . . 0.0 110.95 -176.084 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.198 0 C-N-CA 126.979 2.112 . . . . 0.0 110.262 -175.606 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.463 0 O-C-N 120.888 -1.133 . . . . 0.0 109.84 179.629 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.601 0 N-CA-C 105.943 -1.873 . . . . 0.0 105.943 -176.776 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 127.128 2.767 . . . . 0.0 107.803 177.281 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.57 1.748 0 CA-C-O 115.417 -2.23 . . . . 0.0 106.488 179.352 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.511 2.579 1 O-C-N 130.692 4.995 . . . . 0.0 106.294 177.156 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.091 0 CA-C-O 113.731 -3.033 . . . . 0.0 105.875 -179.861 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-N 121.108 1.777 . . . . 0.0 110.068 -177.787 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.783 0 O-C-N 125.904 2.003 . . . . 0.0 105.826 -176.67 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.377 0 O-C-N 127.512 3.008 . . . . 0.0 112.802 -176.38 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.267 2.001 0 O-C-N 127.18 2.8 . . . . 0.0 112.269 177.615 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.926 0 O-C-N 119.044 -2.285 . . . . 0.0 111.896 -179.687 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.331 -0.203 0 O-C-N 126.658 2.474 . . . . 0.0 109.743 -174.904 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.325 -0.701 0 C-N-CA 124.689 3.593 . . . . 0.0 111.935 179.73 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.833 0 CA-C-N 111.682 -2.508 . . . . 0.0 106.762 179.175 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.237 0 O-C-N 127.486 3.361 . . . . 0.0 107.936 179.0 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.538 0 C-N-CA 121.859 1.706 . . . . 0.0 108.3 178.877 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.622 0 O-C-N 127.081 2.738 . . . . 0.0 112.127 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.291 -1.961 0 C-N-CA 126.794 2.038 . . . . 0.0 114.955 -174.499 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.698 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 175.02 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 124.913 1.383 . . . . 0.0 113.629 -175.826 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.446 0 CA-C-O 117.409 -1.281 . . . . 0.0 112.746 -179.363 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.313 0 CA-C-N 121.752 2.069 . . . . 0.0 114.949 179.598 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.463 0 C-N-CA 122.175 1.916 . . . . 0.0 113.294 178.09 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.915 0 C-N-CA 129.784 3.234 . . . . 0.0 112.309 178.87 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.311 -1.073 0 O-C-N 119.407 -2.058 . . . . 0.0 109.541 177.944 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.337 0 CA-C-O 115.573 -2.156 . . . . 0.0 109.239 179.716 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 127.406 2.941 . . . . 0.0 109.38 179.592 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.253 1.266 0 O-C-N 120.31 -1.493 . . . . 0.0 112.838 177.219 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-O 122.06 0.934 . . . . 0.0 113.354 179.037 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.251 0 C-N-CA 126.453 1.901 . . . . 0.0 109.256 179.776 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.766 0 O-C-N 125.12 1.512 . . . . 0.0 110.244 175.856 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.269 2.13 0 C-N-CA 127.107 2.163 . . . . 0.0 114.593 178.828 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.012 0 CA-C-O 117.094 -1.948 . . . . 0.0 112.36 178.456 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-N 118.119 0.96 . . . . 0.0 108.486 179.279 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 176.036 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.246 0.915 0 C-N-CA 123.923 0.889 . . . . 0.0 112.851 -179.493 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.464 0 N-CA-C 114.996 1.48 . . . . 0.0 114.996 -175.548 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.095 0 C-N-CA 125.059 1.344 . . . . 0.0 108.121 175.092 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 177.254 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.21 -0.982 0 CA-C-N 114.288 -1.324 . . . . 0.0 110.094 -179.912 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-O 115.985 -1.96 . . . . 0.0 112.295 178.844 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.587 0 N-CA-C 116.581 2.067 . . . . 0.0 116.581 -174.941 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.613 0 CA-C-O 122.764 1.268 . . . . 0.0 112.29 -178.926 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 122.4 2.067 . . . . 0.0 115.138 -179.576 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 107.502 -1.296 . . . . 0.0 107.502 177.627 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.405 0 N-CA-C 115.198 1.555 . . . . 0.0 115.198 178.299 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.497 -1.096 0 O-C-N 118.382 -2.699 . . . . 0.0 114.636 -179.093 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.322 0 N-CA-C 115.94 1.83 . . . . 0.0 115.94 179.689 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.058 0 CA-C-N 120.314 1.148 . . . . 0.0 114.863 -179.6 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.274 1.03 . . . . 0.0 111.996 179.886 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 O-C-N 125.07 1.482 . . . . 0.0 111.477 -179.753 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.342 0 N-CA-C 116.965 2.209 . . . . 0.0 116.965 179.069 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 127.645 2.378 . . . . 0.0 115.565 -178.097 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.862 0 N-CA-C 117.123 2.268 . . . . 0.0 117.123 -178.548 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.482 -2.022 0 CA-C-O 115.671 -2.738 . . . . 0.0 118.831 177.646 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.969 0 CA-C-N 124.197 3.998 . . . . 0.0 111.366 179.696 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-O 115.607 -2.14 . . . . 0.0 106.236 177.501 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.509 0 O-C-N 125.546 1.779 . . . . 0.0 107.682 -179.029 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.45 0 O-C-N 125.761 1.913 . . . . 0.0 111.485 -179.685 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-O 122.086 0.946 . . . . 0.0 110.712 179.479 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.027 0 N-CA-C 106.748 -1.575 . . . . 0.0 106.748 -179.91 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.266 1.953 0 O-C-N 126.045 2.09 . . . . 0.0 116.228 -179.835 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.789 0 CA-C-O 117.902 -1.047 . . . . 0.0 112.59 -178.27 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 1.999 0 N-CA-C 107.808 -2.117 . . . . 0.0 107.808 -178.406 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 125.354 2.502 . . . . 0.0 112.662 -177.818 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.825 0 CA-C-N 110.864 -2.88 . . . . 0.0 110.465 179.17 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -0.99 0 O-C-N 126.41 2.319 . . . . 0.0 105.424 176.657 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.395 0 N-CA-C 117.824 2.527 . . . . 0.0 117.824 -176.578 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 178.85 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 103.814 -2.661 . . . . 0.0 103.814 177.043 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 CA-C-N 112.012 -2.358 . . . . 0.0 108.01 -179.281 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.344 0 N-CA-C 118.532 2.173 . . . . 0.0 118.532 -178.247 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.662 0 O-C-N 121.465 -1.021 . . . . 0.0 112.253 -179.652 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.649 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -177.198 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.858 0 CA-C-O 124.218 1.961 . . . . 0.0 110.061 -179.814 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.247 0.924 0 CA-C-N 113.396 -1.729 . . . . 0.0 108.408 -178.445 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.464 0.517 0 CA-C-N 114.033 -1.44 . . . . 0.0 110.203 179.278 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 124.83 0.959 . . . . 0.0 110.008 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.994 0 CA-C-N 114.353 -1.294 . . . . 0.0 109.311 179.34 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.201 0 O-C-N 124.563 1.165 . . . . 0.0 110.2 178.878 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.838 0 N-CA-C 119.05 2.38 . . . . 0.0 119.05 -179.617 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.214 -0.814 0 O-C-N 120.837 -1.39 . . . . 0.0 109.084 179.45 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.308 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 178.657 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.903 0 O-C-N 125.618 1.824 . . . . 0.0 110.227 179.13 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.317 0.579 . . . . 0.0 111.9 -179.199 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 115.727 -2.083 . . . . 0.0 108.803 -177.904 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.909 0 O-C-N 127.312 2.882 . . . . 0.0 110.357 178.745 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 117.675 -1.155 . . . . 0.0 109.532 -179.651 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 O-C-N 128.156 3.41 . . . . 0.0 112.824 -177.714 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.246 0 O-C-N 125.159 1.537 . . . . 0.0 111.769 -178.068 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 123.88 0.872 . . . . 0.0 110.199 178.248 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.292 -1.906 0 N-CA-C 118.085 2.624 . . . . 0.0 118.085 175.7 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.311 -1.074 0 C-N-CA 124.134 0.974 . . . . 0.0 109.081 177.51 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 127.424 2.952 . . . . 0.0 111.363 -177.88 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.305 -1.361 0 C-N-CA 130.019 3.328 . . . . 0.0 108.993 178.297 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.246 0.918 0 O-C-N 126.716 2.51 . . . . 0.0 113.748 -178.135 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 115.284 1.586 . . . . 0.0 115.284 -178.435 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 124.719 1.262 . . . . 0.0 109.924 178.516 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.383 0 C-N-CA 123.985 0.914 . . . . 0.0 109.165 179.028 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 123.508 0.723 . . . . 0.0 112.708 -178.467 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-O 116.976 -1.488 . . . . 0.0 110.993 -177.854 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 CA-C-O 116.737 -1.601 . . . . 0.0 110.729 -176.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.252 1.185 0 CA-C-N 119.552 1.069 . . . . 0.0 112.849 -178.914 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 124.959 1.304 . . . . 0.0 111.69 -178.459 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 125.06 1.475 . . . . 0.0 108.292 -179.615 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.295 -1.769 0 O-C-N 126.59 2.431 . . . . 0.0 111.624 -178.939 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.249 1.049 0 C-N-CA 120.149 -0.621 . . . . 0.0 110.484 177.534 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -177.719 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.524 0 C-N-CA 125.629 1.571 . . . . 0.0 111.228 177.408 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.466 0.674 0 O-C-N 121.319 -0.863 . . . . 0.0 114.255 -179.409 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.613 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 179.235 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.652 0 O-C-N 119.773 -1.829 . . . . 0.0 109.686 -179.326 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.895 0 N-CA-C 116.362 1.986 . . . . 0.0 116.362 -176.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 125.293 1.621 . . . . 0.0 110.304 -176.618 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 112.542 -2.117 . . . . 0.0 108.3 176.018 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 N-CA-C 104.506 -2.405 . . . . 0.0 104.506 178.456 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 125.417 1.698 . . . . 0.0 108.268 -177.702 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.304 -1.244 0 O-C-N 125.895 1.997 . . . . 0.0 110.959 -175.579 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.443 0 O-C-N 126.298 2.736 . . . . 0.0 115.02 -176.465 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.522 0 O-C-N 120.384 -1.448 . . . . 0.0 113.784 177.716 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.386 0 N-CA-C 115.582 1.697 . . . . 0.0 115.582 -176.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 115.091 -2.385 . . . . 0.0 112.769 -178.702 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.653 0 CA-C-N 120.909 1.686 . . . . 0.0 114.879 -177.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.037 0 C-N-CA 127.075 2.15 . . . . 0.0 111.23 -179.574 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 O-C-N 126.208 2.192 . . . . 0.0 110.468 -179.772 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 125.368 1.467 . . . . 0.0 107.088 177.885 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.261 1.705 0 C-N-CA 126.52 1.928 . . . . 0.0 112.658 179.005 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.172 0 CA-C-N 113.164 -1.834 . . . . 0.0 111.455 -177.768 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.309 -1.189 0 C-N-CA 123.853 0.861 . . . . 0.0 113.17 -179.119 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 104.117 -2.549 . . . . 0.0 104.117 177.451 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 104.849 -2.278 . . . . 0.0 104.849 178.63 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 128.496 3.622 . . . . 0.0 116.973 -175.598 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.331 0 N-CA-C 105.315 -3.114 . . . . 0.0 105.315 177.073 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.366 0 O-C-N 128.516 3.127 . . . . 0.0 106.544 179.757 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.839 0 C-N-CA 118.985 -1.086 . . . . 0.0 112.724 -177.646 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.775 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 177.518 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.244 0.805 0 CA-C-O 122.455 1.121 . . . . 0.0 108.078 176.455 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.289 0 C-N-CA 121.469 1.446 . . . . 0.0 111.903 -179.741 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 177.049 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 105.304 -2.11 . . . . 0.0 105.304 177.505 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 122.781 1.277 . . . . 0.0 110.098 -176.937 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.25 1.156 0 CA-C-N 112.692 -2.049 . . . . 0.0 112.815 179.848 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.309 -1.196 0 CA-C-N 118.132 0.966 . . . . 0.0 110.747 179.905 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.95 0 O-C-N 123.477 1.251 . . . . 0.0 111.672 177.069 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.035 0 N-CA-C 103.194 -2.891 . . . . 0.0 103.194 178.703 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.338 0 O-C-N 126.836 2.585 . . . . 0.0 112.232 -178.913 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.44 -1.675 0 N-CA-C 107.595 -1.733 . . . . 0.0 107.595 -179.456 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.292 -1.934 0 O-C-N 128.056 3.348 . . . . 0.0 103.038 179.176 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.997 0 CA-C-O 115.994 -1.955 . . . . 0.0 108.79 -179.799 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.544 1.872 0 N-CA-C 104.055 -3.618 . . . . 0.0 104.055 179.928 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.516 0 CA-C-O 115.728 -2.082 . . . . 0.0 109.457 -178.314 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.714 0 N-CA-C 103.725 -2.694 . . . . 0.0 103.725 -179.296 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.068 0 O-C-N 127.773 3.171 . . . . 0.0 113.486 -179.739 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 -176.752 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.501 2.972 0 O-C-N 126.303 2.252 . . . . 0.0 107.649 179.858 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 118.18 -2.953 . . . . 0.0 110.271 -177.191 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.326 0 N-CA-C 100.625 -3.843 . . . . 0.0 100.625 -173.031 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.299 0 CA-C-O 115.224 -2.074 . . . . 0.0 112.097 175.661 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.272 -2.795 0 CA-C-N 120.718 1.599 . . . . 0.0 109.614 177.733 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.276 2.465 0 CA-C-N 112.852 -1.977 . . . . 0.0 110.591 178.316 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.309 0 O-C-N 120.927 -1.108 . . . . 0.0 110.436 178.551 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.556 1.192 0 O-C-N 125.82 1.95 . . . . 0.0 110.257 -178.346 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.289 -2.048 0 O-C-N 127.066 2.729 . . . . 0.0 107.054 178.954 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.484 -1.584 0 CA-C-O 122.176 0.989 . . . . 0.0 112.913 177.908 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.88 0 O-C-N 117.5 -3.25 . . . . 0.0 114.573 179.664 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.571 1.78 0 O-C-N 125.632 1.832 . . . . 0.0 108.114 179.544 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.57 1 O-C-N 129.206 4.066 . . . . 0.0 109.77 179.214 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 120.085 -1.635 . . . . 0.0 111.833 179.054 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.509 0 C-N-CA 125.113 1.365 . . . . 0.0 112.784 178.736 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.072 0 C-N-CA 127.989 2.709 . . . . 0.0 114.323 177.914 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.273 2.308 0 C-N-CA 128.298 2.639 . . . . 0.0 111.548 179.923 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 C-N-CA 117.623 -1.631 . . . . 0.0 107.403 178.706 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.095 0 CA-C-O 117.293 -1.337 . . . . 0.0 108.989 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 122.857 2.371 . . . . 0.0 111.769 177.893 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.249 1.039 0 O-C-N 118.68 -2.512 . . . . 0.0 115.683 -177.175 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.047 0 C-N-CA 126.6 1.96 . . . . 0.0 110.916 175.736 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.506 -0.922 0 C-N-CA 123.402 2.735 . . . . 0.0 115.516 178.456 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.298 -1.657 0 CA-C-N 121.262 1.847 . . . . 0.0 113.442 178.014 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 124.994 1.318 . . . . 0.0 108.03 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.844 0 C-N-CA 119.066 -1.054 . . . . 0.0 109.768 179.105 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.609 -0.682 . . . . 0.0 109.287 179.112 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 C--O 1.243 0.746 0 CA-C-N 114.272 -1.331 . . . . 0.0 109.73 179.839 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-N 119.567 1.076 . . . . 0.0 111.957 -177.963 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-O 117.015 -1.469 . . . . 0.0 111.822 -178.024 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 115.072 1.508 . . . . 0.0 115.072 -178.944 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.474 0 CA-C-N 114.518 -1.219 . . . . 0.0 109.174 179.768 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-O 124.844 2.259 . . . . 0.0 109.39 178.307 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.499 -1.007 0 CA-C-N 112.78 -2.009 . . . . 0.0 111.295 178.768 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-N 121.099 1.772 . . . . 0.0 112.724 179.879 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.253 1.289 0 CA-C-O 118.438 -0.792 . . . . 0.0 112.24 -176.274 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 O-C-N 124.119 0.887 . . . . 0.0 109.086 -179.304 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-O 115.254 -2.308 . . . . 0.0 110.907 -178.119 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.222 0 O-C-N 127.521 3.013 . . . . 0.0 111.011 178.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.8 0 C-N-CA 127.381 2.272 . . . . 0.0 113.759 -177.138 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 126.005 2.066 . . . . 0.0 112.2 -179.929 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.255 1.421 0 CA-C-N 121.339 1.881 . . . . 0.0 114.844 179.868 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.26 1.606 0 C-N-CA 124.845 1.258 . . . . 0.0 111.38 179.572 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 178.938 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 178.26 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 O-C-N 124.82 1.325 . . . . 0.0 110.057 -178.68 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-N 113.613 -1.631 . . . . 0.0 111.043 178.321 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.528 0 C-N-CA 127.194 2.197 . . . . 0.0 112.513 -178.581 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 113.698 -1.592 . . . . 0.0 111.976 179.805 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-O 116.76 -1.591 . . . . 0.0 111.684 -178.304 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 126.549 2.405 . . . . 0.0 107.545 178.855 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.043 0 C-N-CA 126.439 1.895 . . . . 0.0 113.146 179.262 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.624 -179.195 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 124.398 1.061 . . . . 0.0 108.232 178.112 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-O 116.543 -1.694 . . . . 0.0 112.138 179.037 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.257 1.467 0 N-CA-C 115.898 1.814 . . . . 0.0 115.898 -179.721 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 O-C-N 124.478 1.111 . . . . 0.0 111.118 -177.96 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.309 -1.156 0 O-C-N 125.423 1.702 . . . . 0.0 111.383 -178.665 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.058 0 C-N-CA 127.265 2.226 . . . . 0.0 107.437 179.154 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 500' ' ' MXT . . . . . 1.001 H122 ' HA ' ' A' ' 41' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 600' ' ' MXT . . . . . 0.754 H231 ' O12' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.956 ' H ' ' C11' ' A' ' 500' ' ' MXT . 25.8 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.299 0 O-C-N 125.664 1.852 . . . . 0.0 106.887 170.657 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.745 1 O-C-N 129.198 4.262 . . . . 0.0 107.997 -176.56 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.938 0 CA-C-N 121.021 1.737 . . . . 0.0 112.668 -178.467 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.193 0 CA-C-N 114.221 -1.354 . . . . 0.0 110.885 -177.384 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.154 0 C-N-CA 126.958 2.103 . . . . 0.0 110.226 -176.78 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.456 0 O-C-N 120.929 -1.107 . . . . 0.0 109.835 177.562 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.577 0 N-CA-C 105.914 -1.884 . . . . 0.0 105.914 -176.217 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 127.155 2.784 . . . . 0.0 107.839 178.036 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.765 0 CA-C-O 115.5 -2.191 . . . . 0.0 106.394 177.58 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.56 1 O-C-N 130.657 4.973 . . . . 0.0 106.316 177.352 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.133 0 CA-C-O 113.7 -3.048 . . . . 0.0 105.846 -179.804 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.489 1.482 0 CA-C-N 121.128 1.785 . . . . 0.0 110.018 -177.773 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 125.907 2.004 . . . . 0.0 105.827 -176.627 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.363 0 O-C-N 127.542 3.026 . . . . 0.0 112.746 -176.332 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.961 0 O-C-N 127.267 2.855 . . . . 0.0 112.256 177.62 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 122.146 2.248 . . . . 0.0 111.94 -179.669 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.331 -0.198 0 O-C-N 126.631 2.457 . . . . 0.0 109.714 -174.915 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.714 0 C-N-CA 124.657 3.571 . . . . 0.0 111.936 179.72 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.477 0.876 0 CA-C-N 111.753 -2.476 . . . . 0.0 106.722 179.163 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.239 0 O-C-N 127.52 3.379 . . . . 0.0 107.902 178.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.523 0 C-N-CA 121.85 1.7 . . . . 0.0 108.281 178.885 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.595 0 O-C-N 127.07 2.732 . . . . 0.0 112.137 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.989 0 C-N-CA 126.741 2.016 . . . . 0.0 114.89 -174.47 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.689 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 174.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.287 0 O-C-N 124.872 1.357 . . . . 0.0 113.659 -175.848 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.436 0 CA-C-O 117.405 -1.283 . . . . 0.0 112.794 -179.413 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.306 0 CA-C-N 121.729 2.059 . . . . 0.0 114.962 179.533 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.492 0 C-N-CA 122.181 1.92 . . . . 0.0 113.268 178.119 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.292 -1.892 0 C-N-CA 129.797 3.239 . . . . 0.0 112.282 178.889 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.311 -1.081 0 O-C-N 119.431 -2.043 . . . . 0.0 109.469 178.006 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.559 1.319 0 CA-C-O 115.594 -2.146 . . . . 0.0 109.206 179.744 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 127.36 2.913 . . . . 0.0 109.372 179.627 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.204 0 O-C-N 120.272 -1.517 . . . . 0.0 112.889 177.185 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 122.047 0.927 . . . . 0.0 113.375 179.044 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.259 0 C-N-CA 126.475 1.91 . . . . 0.0 109.26 179.728 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.787 0 O-C-N 125.095 1.497 . . . . 0.0 110.232 175.883 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.171 0 C-N-CA 127.062 2.145 . . . . 0.0 114.588 178.812 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 1.974 0 CA-C-O 117.135 -1.925 . . . . 0.0 112.398 178.482 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-N 118.108 0.954 . . . . 0.0 108.477 179.287 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 176.005 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.948 0 C-N-CA 123.894 0.878 . . . . 0.0 112.858 -179.47 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.46 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 -175.498 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.31 -1.117 0 C-N-CA 125.071 1.348 . . . . 0.0 108.072 175.083 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 177.194 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.927 0 CA-C-N 114.31 -1.314 . . . . 0.0 110.105 -179.914 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-O 115.984 -1.96 . . . . 0.0 112.361 178.797 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.571 0 N-CA-C 116.563 2.061 . . . . 0.0 116.563 -174.894 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.602 0 CA-C-O 122.687 1.232 . . . . 0.0 112.345 -178.928 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.448 -1.188 0 C-N-CA 122.378 2.052 . . . . 0.0 115.125 -179.571 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 177.627 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.425 0 N-CA-C 115.172 1.545 . . . . 0.0 115.172 178.338 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.113 0 O-C-N 118.297 -2.752 . . . . 0.0 114.637 -179.063 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.255 1.349 0 N-CA-C 115.915 1.82 . . . . 0.0 115.915 179.719 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.055 0 CA-C-N 120.316 1.149 . . . . 0.0 114.829 -179.609 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.286 1.034 . . . . 0.0 112.003 179.897 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 O-C-N 125.165 1.541 . . . . 0.0 111.481 -179.712 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.255 1.354 0 N-CA-C 116.882 2.178 . . . . 0.0 116.882 179.093 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 127.574 2.35 . . . . 0.0 115.653 -178.081 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.246 0.896 0 N-CA-C 117.079 2.251 . . . . 0.0 117.079 -178.55 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.051 0 CA-C-O 115.656 -2.747 . . . . 0.0 118.849 177.634 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.969 0 CA-C-N 124.199 4.0 . . . . 0.0 111.366 179.704 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-O 115.647 -2.121 . . . . 0.0 106.224 177.581 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.302 -1.499 0 O-C-N 125.513 1.758 . . . . 0.0 107.645 -179.038 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.483 0 O-C-N 125.715 1.884 . . . . 0.0 111.484 -179.661 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-O 122.104 0.954 . . . . 0.0 110.742 179.456 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.077 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 -179.859 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 2.014 0 O-C-N 126.044 2.09 . . . . 0.0 116.166 -179.769 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.765 0 CA-C-O 117.972 -1.013 . . . . 0.0 112.609 -178.265 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 2.003 0 N-CA-C 107.786 -2.126 . . . . 0.0 107.786 -178.431 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 125.325 2.488 . . . . 0.0 112.664 -177.831 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.837 0 CA-C-N 110.928 -2.851 . . . . 0.0 110.387 179.232 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 126.395 2.309 . . . . 0.0 105.402 176.647 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.4 0 N-CA-C 117.828 2.529 . . . . 0.0 117.828 -176.552 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.838 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 103.83 -2.656 . . . . 0.0 103.83 177.085 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 CA-C-N 112.015 -2.357 . . . . 0.0 108.036 -179.323 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.334 0 N-CA-C 118.583 2.193 . . . . 0.0 118.583 -178.24 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.241 0.648 0 O-C-N 121.494 -1.004 . . . . 0.0 112.253 -179.645 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.675 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -177.164 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.86 0 CA-C-O 124.251 1.977 . . . . 0.0 110.055 -179.782 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.245 0.855 0 CA-C-N 113.412 -1.722 . . . . 0.0 108.423 -178.425 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.463 0.455 0 CA-C-N 114.049 -1.432 . . . . 0.0 110.154 179.281 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 124.796 0.939 . . . . 0.0 110.048 179.887 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 1.01 0 CA-C-N 114.373 -1.285 . . . . 0.0 109.354 179.325 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.187 0 O-C-N 124.53 1.144 . . . . 0.0 110.189 178.877 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.831 0 N-CA-C 119.049 2.38 . . . . 0.0 119.049 -179.68 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 120.896 -1.355 . . . . 0.0 109.101 179.505 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 178.598 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.264 1.852 0 O-C-N 125.699 1.874 . . . . 0.0 110.307 179.103 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.351 0.596 . . . . 0.0 111.927 -179.187 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 115.743 -2.075 . . . . 0.0 108.812 -177.964 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.899 0 O-C-N 127.23 2.831 . . . . 0.0 110.331 178.775 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 117.639 -1.172 . . . . 0.0 109.55 -179.69 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 O-C-N 128.198 3.436 . . . . 0.0 112.873 -177.722 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.242 0 O-C-N 125.132 1.52 . . . . 0.0 111.718 -178.075 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 123.895 0.878 . . . . 0.0 110.178 178.281 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.943 0 N-CA-C 118.057 2.614 . . . . 0.0 118.057 175.724 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.046 0 C-N-CA 124.12 0.968 . . . . 0.0 109.116 177.46 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 127.407 2.942 . . . . 0.0 111.418 -177.957 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 129.958 3.303 . . . . 0.0 108.972 178.324 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.246 0.92 0 O-C-N 126.798 2.561 . . . . 0.0 113.761 -178.111 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 115.294 1.59 . . . . 0.0 115.294 -178.488 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 124.725 1.266 . . . . 0.0 109.879 178.543 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.303 -1.436 0 C-N-CA 124.035 0.934 . . . . 0.0 109.219 178.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 123.471 0.708 . . . . 0.0 112.741 -178.507 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-O 116.981 -1.485 . . . . 0.0 110.963 -177.819 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.678 0 CA-C-O 116.777 -1.582 . . . . 0.0 110.679 -176.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.16 0 CA-C-N 119.559 1.072 . . . . 0.0 112.798 -178.809 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 124.945 1.298 . . . . 0.0 111.73 -178.519 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 125.013 1.446 . . . . 0.0 108.274 -179.57 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 126.537 2.398 . . . . 0.0 111.591 -178.941 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.017 0 C-N-CA 120.199 -0.6 . . . . 0.0 110.531 177.552 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 -177.744 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.524 0 C-N-CA 125.591 1.557 . . . . 0.0 111.269 177.378 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 C--O 1.243 0.671 0 O-C-N 121.291 -0.88 . . . . 0.0 114.275 -179.434 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 113.283 0.846 . . . . 0.0 113.283 179.205 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 119.754 -1.841 . . . . 0.0 109.652 -179.305 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 116.313 1.968 . . . . 0.0 116.313 -176.917 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 125.328 1.643 . . . . 0.0 110.332 -176.64 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 112.573 -2.103 . . . . 0.0 108.277 176.029 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 N-CA-C 104.462 -2.421 . . . . 0.0 104.462 178.475 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 125.349 1.656 . . . . 0.0 108.285 -177.684 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.288 0 O-C-N 125.884 1.99 . . . . 0.0 110.988 -175.557 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.471 0 O-C-N 126.256 2.713 . . . . 0.0 115.053 -176.55 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.531 0 O-C-N 120.396 -1.44 . . . . 0.0 113.828 177.709 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.365 0 N-CA-C 115.607 1.706 . . . . 0.0 115.607 -176.958 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.264 1.818 0 CA-C-O 115.081 -2.39 . . . . 0.0 112.785 -178.703 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.626 0 CA-C-N 120.915 1.689 . . . . 0.0 114.86 -178.031 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.032 0 C-N-CA 126.99 2.116 . . . . 0.0 111.191 -179.528 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 O-C-N 126.248 2.218 . . . . 0.0 110.451 -179.741 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 125.376 1.47 . . . . 0.0 107.09 177.863 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.728 0 C-N-CA 126.56 1.944 . . . . 0.0 112.603 179.013 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.167 0 CA-C-N 113.176 -1.829 . . . . 0.0 111.4 -177.659 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.151 0 C-N-CA 123.822 0.849 . . . . 0.0 113.18 -179.099 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 104.148 -2.538 . . . . 0.0 104.148 177.419 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 104.842 -2.281 . . . . 0.0 104.842 178.609 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 128.501 3.625 . . . . 0.0 117.008 -175.637 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.584 4.354 0 N-CA-C 105.304 -3.119 . . . . 0.0 105.304 177.048 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.273 2.329 0 O-C-N 128.484 3.108 . . . . 0.0 106.495 179.792 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.244 0.811 0 C-N-CA 118.942 -1.103 . . . . 0.0 112.726 -177.675 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.77 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 177.564 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.843 0 CA-C-O 122.418 1.104 . . . . 0.0 108.111 176.442 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.447 -1.262 0 C-N-CA 121.485 1.457 . . . . 0.0 111.897 -179.769 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 177.01 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 105.359 -2.089 . . . . 0.0 105.359 177.481 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 122.747 1.261 . . . . 0.0 110.055 -176.939 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.157 0 CA-C-N 112.705 -2.043 . . . . 0.0 112.796 -178.436 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.208 0 CA-C-N 118.158 0.979 . . . . 0.0 110.733 -179.537 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.938 0 O-C-N 123.477 1.251 . . . . 0.0 111.659 177.298 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 103.165 -2.902 . . . . 0.0 103.165 178.498 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.344 0 O-C-N 126.882 2.614 . . . . 0.0 112.21 -178.446 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.687 0 N-CA-C 107.578 -1.739 . . . . 0.0 107.578 178.412 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.292 -1.934 0 O-C-N 128.104 3.377 . . . . 0.0 102.958 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.998 0 CA-C-O 115.982 -1.961 . . . . 0.0 108.839 -176.476 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.544 1.867 0 N-CA-C 104.044 -3.622 . . . . 0.0 104.044 178.252 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.513 0 CA-C-O 115.722 -2.085 . . . . 0.0 109.477 -177.895 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.718 0 N-CA-C 103.698 -2.704 . . . . 0.0 103.698 -179.366 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.072 0 O-C-N 127.748 3.155 . . . . 0.0 113.496 -177.169 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 106.356 -1.72 . . . . 0.0 106.356 -178.719 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.934 0 O-C-N 126.244 2.215 . . . . 0.0 107.629 -178.893 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 120.0 -1.882 . . . . 0.0 110.271 -177.066 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.253 1.277 0 N-CA-C 100.625 -3.843 . . . . 0.0 100.625 -179.37 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.316 0 CA-C-O 115.27 -2.054 . . . . 0.0 112.123 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.272 -2.779 0 CA-C-N 120.643 1.565 . . . . 0.0 109.559 177.794 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.423 0 CA-C-N 112.848 -1.978 . . . . 0.0 110.58 178.341 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.307 0 O-C-N 120.909 -1.119 . . . . 0.0 110.424 178.566 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.556 1.178 0 O-C-N 125.816 1.947 . . . . 0.0 110.276 -178.321 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.077 0 O-C-N 127.09 2.744 . . . . 0.0 107.052 178.914 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.609 0 CA-C-O 122.188 0.994 . . . . 0.0 112.957 177.875 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.919 0 O-C-N 117.47 -3.268 . . . . 0.0 114.583 179.668 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.803 0 O-C-N 125.609 1.818 . . . . 0.0 108.153 179.473 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.299 -1.595 1 O-C-N 129.257 4.098 . . . . 0.0 109.749 179.185 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 120.016 -1.678 . . . . 0.0 111.837 179.116 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.302 -1.5 0 C-N-CA 125.101 1.36 . . . . 0.0 112.747 178.715 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.049 0 C-N-CA 127.995 2.712 . . . . 0.0 114.328 -178.891 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.257 0 C-N-CA 128.256 2.622 . . . . 0.0 111.52 -179.67 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 C-N-CA 117.583 -1.647 . . . . 0.0 107.361 179.317 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.107 0 CA-C-O 117.292 -1.337 . . . . 0.0 108.991 -179.328 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.298 0 C-N-CA 122.837 2.358 . . . . 0.0 111.723 178.152 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.019 0 O-C-N 118.685 -2.51 . . . . 0.0 115.68 -178.714 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.311 -1.073 0 C-N-CA 126.612 1.965 . . . . 0.0 110.926 179.697 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.948 0 C-N-CA 123.453 2.768 . . . . 0.0 115.497 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-N 121.299 1.863 . . . . 0.0 113.401 178.057 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 124.951 1.3 . . . . 0.0 108.007 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.86 0 C-N-CA 119.007 -1.077 . . . . 0.0 109.76 179.111 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.567 -0.708 . . . . 0.0 109.339 179.063 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 114.194 -1.366 . . . . 0.0 109.753 179.819 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 119.556 1.071 . . . . 0.0 111.96 -177.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-O 117.075 -1.441 . . . . 0.0 111.895 -178.043 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 115.08 1.511 . . . . 0.0 115.08 -178.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.256 1.447 0 CA-C-N 114.495 -1.23 . . . . 0.0 109.199 179.735 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 124.859 2.266 . . . . 0.0 109.398 178.327 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.499 -1.008 0 CA-C-N 112.73 -2.032 . . . . 0.0 111.311 178.819 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.725 0 CA-C-N 121.141 1.791 . . . . 0.0 112.781 179.818 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.322 0 CA-C-O 118.424 -0.798 . . . . 0.0 112.268 -176.342 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 O-C-N 124.072 0.858 . . . . 0.0 109.085 -179.293 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-O 115.231 -2.319 . . . . 0.0 110.928 -178.153 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.213 0 O-C-N 127.585 3.053 . . . . 0.0 111.036 178.957 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.294 -1.811 0 C-N-CA 127.363 2.265 . . . . 0.0 113.794 -177.167 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 125.995 2.059 . . . . 0.0 112.22 -179.942 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.379 0 CA-C-N 121.314 1.87 . . . . 0.0 114.82 179.838 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.258 1.547 0 C-N-CA 124.779 1.231 . . . . 0.0 111.391 179.589 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 178.959 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.2 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 178.224 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 O-C-N 124.82 1.325 . . . . 0.0 110.026 -178.638 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-N 113.681 -1.6 . . . . 0.0 110.992 178.364 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.536 0 C-N-CA 127.138 2.175 . . . . 0.0 112.559 -178.546 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 113.692 -1.595 . . . . 0.0 111.968 179.774 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-O 116.728 -1.606 . . . . 0.0 111.704 -178.341 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 126.553 2.408 . . . . 0.0 107.577 178.89 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.048 0 C-N-CA 126.388 1.875 . . . . 0.0 113.125 179.29 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.631 -179.247 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.19 0 O-C-N 124.412 1.07 . . . . 0.0 108.208 178.13 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 116.585 -1.674 . . . . 0.0 112.121 179.075 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.257 1.497 0 N-CA-C 115.934 1.827 . . . . 0.0 115.934 -179.784 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.662 0 O-C-N 124.463 1.102 . . . . 0.0 111.106 -177.913 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.112 0 O-C-N 125.458 1.724 . . . . 0.0 111.35 -178.658 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.062 0 C-N-CA 127.316 2.247 . . . . 0.0 107.406 179.166 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 500' ' ' MXT . . . . . 0.956 ' C11' ' H ' ' A' ' 41' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 600' ' ' MXT . . . . . 0.69 H231 ' O11' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.595 ' N ' ' O12' ' A' ' 500' ' ' MXT . 0.3 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.424 ' N ' ' O12' ' A' ' 500' ' ' MXT . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.299 0 O-C-N 125.664 1.852 . . . . 0.0 106.872 171.459 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.751 1 O-C-N 129.234 4.281 . . . . 0.0 107.983 -174.727 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.913 0 CA-C-N 121.042 1.747 . . . . 0.0 112.641 -179.071 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.187 0 CA-C-N 114.227 -1.352 . . . . 0.0 110.906 179.685 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.191 0 C-N-CA 126.99 2.116 . . . . 0.0 110.195 -177.376 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.256 1.407 0 O-C-N 120.963 -1.086 . . . . 0.0 109.823 -172.583 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.585 0 N-CA-C 105.924 -1.88 . . . . 0.0 105.924 -177.413 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 127.149 2.78 . . . . 0.0 107.847 179.67 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.772 0 CA-C-O 115.442 -2.218 . . . . 0.0 106.443 178.162 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.558 1 O-C-N 130.706 5.004 . . . . 0.0 106.322 177.567 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.13 0 CA-C-O 113.701 -3.047 . . . . 0.0 105.817 -179.778 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.489 1.486 0 CA-C-N 121.128 1.786 . . . . 0.0 110.012 -177.78 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 125.909 2.006 . . . . 0.0 105.762 -176.601 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.369 0 O-C-N 127.537 3.023 . . . . 0.0 112.726 -176.371 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.267 1.986 0 O-C-N 127.239 2.837 . . . . 0.0 112.217 177.667 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 122.188 2.267 . . . . 0.0 111.954 -179.691 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.331 -0.212 0 O-C-N 126.607 2.442 . . . . 0.0 109.738 -174.949 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.751 0 C-N-CA 124.702 3.601 . . . . 0.0 111.957 179.72 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.475 0.824 0 CA-C-N 111.705 -2.498 . . . . 0.0 106.761 179.119 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.25 0 O-C-N 127.49 3.363 . . . . 0.0 107.891 178.961 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.329 -0.473 0 C-N-CA 121.83 1.687 . . . . 0.0 108.344 178.829 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.588 0 O-C-N 127.091 2.745 . . . . 0.0 112.143 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -2.006 0 C-N-CA 126.73 2.012 . . . . 0.0 114.89 -174.46 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.707 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 174.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 124.905 1.378 . . . . 0.0 113.643 -175.782 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.432 0 CA-C-O 117.389 -1.291 . . . . 0.0 112.787 -179.428 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.297 0 CA-C-N 121.763 2.074 . . . . 0.0 114.905 179.62 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.467 0 C-N-CA 122.208 1.939 . . . . 0.0 113.299 178.104 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.878 0 C-N-CA 129.795 3.238 . . . . 0.0 112.258 178.899 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.06 0 O-C-N 119.422 -2.049 . . . . 0.0 109.549 177.961 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.334 0 CA-C-O 115.59 -2.147 . . . . 0.0 109.209 179.693 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 127.384 2.928 . . . . 0.0 109.408 179.615 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.253 1.246 0 O-C-N 120.285 -1.509 . . . . 0.0 112.932 177.129 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-O 122.019 0.914 . . . . 0.0 113.36 179.034 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.256 0 C-N-CA 126.424 1.89 . . . . 0.0 109.263 179.702 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.766 0 O-C-N 125.138 1.524 . . . . 0.0 110.272 175.873 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.137 0 C-N-CA 127.085 2.154 . . . . 0.0 114.621 178.807 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 1.977 0 CA-C-O 117.106 -1.941 . . . . 0.0 112.354 178.45 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 118.147 0.973 . . . . 0.0 108.493 179.297 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 107.286 -1.376 . . . . 0.0 107.286 175.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.921 0 C-N-CA 123.985 0.914 . . . . 0.0 112.86 -179.52 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.483 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 -175.529 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.086 0 C-N-CA 125.058 1.343 . . . . 0.0 108.083 175.077 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 177.227 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.933 0 CA-C-N 114.322 -1.308 . . . . 0.0 110.104 -179.912 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-O 116.005 -1.95 . . . . 0.0 112.317 178.807 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.544 0 N-CA-C 116.557 2.058 . . . . 0.0 116.557 -174.874 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.608 0 CA-C-O 122.793 1.282 . . . . 0.0 112.327 -178.935 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 122.386 2.058 . . . . 0.0 115.15 -179.533 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 177.613 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.43 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 178.341 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.098 0 O-C-N 118.3 -2.75 . . . . 0.0 114.619 -179.056 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.302 0 N-CA-C 115.974 1.842 . . . . 0.0 115.974 179.662 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.045 0 CA-C-N 120.322 1.151 . . . . 0.0 114.9 -179.653 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.22 1.008 . . . . 0.0 112.069 179.837 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 O-C-N 125.12 1.512 . . . . 0.0 111.494 -179.765 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.319 0 N-CA-C 116.942 2.201 . . . . 0.0 116.942 179.094 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 127.638 2.375 . . . . 0.0 115.546 -178.126 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.826 0 N-CA-C 117.143 2.275 . . . . 0.0 117.143 -178.54 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.071 0 CA-C-O 115.701 -2.722 . . . . 0.0 118.862 177.657 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.952 0 CA-C-N 124.185 3.993 . . . . 0.0 111.38 179.697 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-O 115.648 -2.12 . . . . 0.0 106.307 177.481 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.302 -1.481 0 O-C-N 125.496 1.747 . . . . 0.0 107.65 -178.966 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.477 0 O-C-N 125.812 1.945 . . . . 0.0 111.479 -179.647 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-O 122.078 0.942 . . . . 0.0 110.732 179.42 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.029 0 N-CA-C 106.722 -1.584 . . . . 0.0 106.722 -179.883 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 1.993 0 O-C-N 126.018 2.074 . . . . 0.0 116.21 -179.823 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.777 0 CA-C-O 117.891 -1.052 . . . . 0.0 112.568 -178.279 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.485 1.933 0 N-CA-C 107.824 -2.11 . . . . 0.0 107.824 -178.384 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 125.329 2.49 . . . . 0.0 112.685 -177.832 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.246 0.874 0 CA-C-N 110.883 -2.871 . . . . 0.0 110.429 179.227 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -0.997 0 O-C-N 126.395 2.309 . . . . 0.0 105.416 176.636 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.363 0 N-CA-C 117.787 2.514 . . . . 0.0 117.787 -176.528 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 178.775 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 103.848 -2.649 . . . . 0.0 103.848 177.057 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 CA-C-N 112.051 -2.341 . . . . 0.0 108.026 -179.262 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.252 1.261 0 N-CA-C 118.514 2.166 . . . . 0.0 118.514 -178.212 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.243 0.725 0 O-C-N 121.523 -0.986 . . . . 0.0 112.236 -179.686 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.648 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -177.2 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.836 0 CA-C-O 124.218 1.961 . . . . 0.0 110.079 -179.807 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.901 0 CA-C-N 113.463 -1.698 . . . . 0.0 108.353 -178.374 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 C--N 1.318 -0.47 0 CA-C-N 114.057 -1.429 . . . . 0.0 110.162 179.294 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 124.822 0.954 . . . . 0.0 110.048 179.926 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.975 0 CA-C-N 114.327 -1.306 . . . . 0.0 109.335 179.318 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.484 1.249 0 O-C-N 124.514 1.134 . . . . 0.0 110.163 178.896 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.849 0 N-CA-C 119.04 2.376 . . . . 0.0 119.04 -179.657 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.816 0 O-C-N 120.908 -1.349 . . . . 0.0 109.117 179.48 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 107.068 -1.456 . . . . 0.0 107.068 178.629 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.919 0 O-C-N 125.704 1.877 . . . . 0.0 110.279 179.175 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.315 0.578 . . . . 0.0 111.838 -179.201 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 115.72 -2.086 . . . . 0.0 108.802 -177.9 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.903 0 O-C-N 127.227 2.83 . . . . 0.0 110.378 178.729 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 117.672 -1.156 . . . . 0.0 109.553 -179.702 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 O-C-N 128.133 3.396 . . . . 0.0 112.847 -177.739 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.278 0 O-C-N 125.132 1.52 . . . . 0.0 111.7 -178.037 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 123.868 0.867 . . . . 0.0 110.201 178.266 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 118.021 2.6 . . . . 0.0 118.021 175.709 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.044 0 C-N-CA 124.058 0.943 . . . . 0.0 109.073 177.47 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 127.481 2.988 . . . . 0.0 111.362 -177.938 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.387 0 C-N-CA 129.999 3.32 . . . . 0.0 109.017 178.242 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.959 0 O-C-N 126.736 2.522 . . . . 0.0 113.75 -178.131 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 115.266 1.58 . . . . 0.0 115.266 -178.411 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 124.723 1.264 . . . . 0.0 109.939 178.518 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.303 -1.429 0 C-N-CA 124.006 0.922 . . . . 0.0 109.197 178.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 123.465 0.706 . . . . 0.0 112.694 -178.461 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-O 116.979 -1.486 . . . . 0.0 111.003 -177.836 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 CA-C-O 116.779 -1.581 . . . . 0.0 110.701 -176.935 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.252 1.185 0 CA-C-N 119.557 1.071 . . . . 0.0 112.845 -178.878 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 124.954 1.302 . . . . 0.0 111.697 -178.47 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 125.038 1.462 . . . . 0.0 108.3 -179.633 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 126.526 2.391 . . . . 0.0 111.643 -178.959 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.249 1.031 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.486 177.579 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.297 -1.713 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -177.739 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 125.706 1.602 . . . . 0.0 111.258 177.412 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 C--O 1.243 0.679 0 O-C-N 121.269 -0.894 . . . . 0.0 114.24 -179.418 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.613 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 179.229 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 119.842 -1.787 . . . . 0.0 109.657 -179.32 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 116.362 1.986 . . . . 0.0 116.362 -176.945 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 125.204 1.565 . . . . 0.0 110.301 -176.644 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--O 1.212 -0.896 0 CA-C-N 112.498 -2.137 . . . . 0.0 108.311 175.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 N-CA-C 104.483 -2.414 . . . . 0.0 104.483 178.493 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 125.437 1.711 . . . . 0.0 108.27 -177.664 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.251 0 O-C-N 125.856 1.973 . . . . 0.0 110.973 -175.542 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.474 -2.482 0 O-C-N 126.311 2.743 . . . . 0.0 115.029 -176.505 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.516 0 O-C-N 120.367 -1.458 . . . . 0.0 113.802 177.727 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.362 0 N-CA-C 115.632 1.716 . . . . 0.0 115.632 -176.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.264 1.823 0 CA-C-O 115.088 -2.387 . . . . 0.0 112.774 -178.738 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.618 0 CA-C-N 120.888 1.676 . . . . 0.0 114.783 -177.948 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.063 0 C-N-CA 127.018 2.127 . . . . 0.0 111.199 -179.511 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.463 0 O-C-N 126.263 2.227 . . . . 0.0 110.412 -179.72 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 125.363 1.465 . . . . 0.0 107.069 177.892 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.743 0 C-N-CA 126.598 1.959 . . . . 0.0 112.598 179.043 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.168 0 CA-C-N 113.185 -1.825 . . . . 0.0 111.41 -177.69 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.309 -1.172 0 C-N-CA 123.852 0.861 . . . . 0.0 113.193 -179.041 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 104.131 -2.544 . . . . 0.0 104.131 177.466 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 104.874 -2.269 . . . . 0.0 104.874 178.627 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 128.522 3.638 . . . . 0.0 116.979 -175.592 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.584 4.381 0 N-CA-C 105.329 -3.108 . . . . 0.0 105.329 177.046 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.351 0 O-C-N 128.541 3.142 . . . . 0.0 106.536 179.768 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.858 0 C-N-CA 118.975 -1.09 . . . . 0.0 112.744 -177.632 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.771 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.543 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.853 0 CA-C-O 122.465 1.126 . . . . 0.0 108.111 176.433 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.293 0 C-N-CA 121.497 1.465 . . . . 0.0 111.873 -179.685 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 176.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 105.358 -2.09 . . . . 0.0 105.358 177.468 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 122.802 1.287 . . . . 0.0 110.123 -176.888 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.202 0 CA-C-N 112.651 -2.068 . . . . 0.0 112.779 179.62 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.223 0 CA-C-N 118.185 0.993 . . . . 0.0 110.74 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.453 -0.909 0 O-C-N 123.49 1.258 . . . . 0.0 111.624 176.798 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 103.174 -2.899 . . . . 0.0 103.174 178.693 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.349 0 O-C-N 126.801 2.563 . . . . 0.0 112.233 -178.915 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.681 0 N-CA-C 107.547 -1.751 . . . . 0.0 107.547 -179.214 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.95 0 O-C-N 128.146 3.404 . . . . 0.0 103.037 179.844 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.999 0 CA-C-O 116.01 -1.948 . . . . 0.0 108.823 -178.725 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.544 1.867 0 N-CA-C 104.078 -3.609 . . . . 0.0 104.078 178.81 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.524 0 CA-C-O 115.67 -2.11 . . . . 0.0 109.507 -179.426 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.716 0 N-CA-C 103.715 -2.698 . . . . 0.0 103.715 -176.611 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.063 0 O-C-N 127.726 3.141 . . . . 0.0 113.51 -177.343 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 106.339 -1.726 . . . . 0.0 106.339 -178.368 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.908 0 O-C-N 126.26 2.225 . . . . 0.0 107.623 -178.703 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 120.712 -1.463 . . . . 0.0 110.271 179.706 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.255 1.357 0 N-CA-C 100.653 -3.832 . . . . 0.0 100.653 177.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.291 0 CA-C-O 115.211 -2.079 . . . . 0.0 112.092 179.748 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.272 -2.799 0 CA-C-N 120.724 1.602 . . . . 0.0 109.565 177.78 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.43 0 CA-C-N 112.823 -1.99 . . . . 0.0 110.654 178.291 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.305 0 O-C-N 120.882 -1.136 . . . . 0.0 110.39 178.586 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.16 0 O-C-N 125.789 1.93 . . . . 0.0 110.296 -178.378 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.289 -2.058 0 O-C-N 127.055 2.722 . . . . 0.0 107.061 178.952 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.607 0 CA-C-O 122.219 1.009 . . . . 0.0 112.892 177.898 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.907 0 O-C-N 117.457 -3.277 . . . . 0.0 114.599 179.679 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.804 0 O-C-N 125.556 1.785 . . . . 0.0 108.115 179.512 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.554 1 O-C-N 129.221 4.076 . . . . 0.0 109.784 179.187 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 120.021 -1.675 . . . . 0.0 111.874 179.06 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 125.082 1.353 . . . . 0.0 112.798 178.728 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.035 0 C-N-CA 128.014 2.721 . . . . 0.0 114.258 -179.373 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.273 2.295 0 C-N-CA 128.266 2.627 . . . . 0.0 111.463 -177.55 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 C-N-CA 117.608 -1.637 . . . . 0.0 107.401 179.219 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.287 -2.126 0 CA-C-O 117.262 -1.351 . . . . 0.0 108.988 -179.695 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.336 0 C-N-CA 122.863 2.375 . . . . 0.0 111.79 179.318 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.009 0 O-C-N 118.673 -2.517 . . . . 0.0 115.677 -177.57 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.042 0 C-N-CA 126.666 1.986 . . . . 0.0 110.876 178.86 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.506 -0.915 0 C-N-CA 123.433 2.755 . . . . 0.0 115.453 179.345 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.692 0 CA-C-N 121.32 1.873 . . . . 0.0 113.401 178.075 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 124.959 1.304 . . . . 0.0 108.003 -179.955 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.855 0 C-N-CA 119.079 -1.049 . . . . 0.0 109.765 179.121 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.544 -0.723 . . . . 0.0 109.286 179.103 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 C--O 1.243 0.747 0 CA-C-N 114.223 -1.353 . . . . 0.0 109.777 179.822 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 119.559 1.072 . . . . 0.0 111.963 -177.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-O 117.102 -1.428 . . . . 0.0 111.887 -178.069 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 115.055 1.502 . . . . 0.0 115.055 -178.959 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.482 0 CA-C-N 114.572 -1.194 . . . . 0.0 109.18 179.769 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-O 124.926 2.298 . . . . 0.0 109.445 178.288 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.499 -1.009 0 CA-C-N 112.725 -2.034 . . . . 0.0 111.251 178.762 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.76 0 CA-C-N 121.142 1.792 . . . . 0.0 112.779 179.869 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.313 0 CA-C-O 118.423 -0.798 . . . . 0.0 112.238 -176.301 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 O-C-N 124.132 0.895 . . . . 0.0 109.071 -179.25 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-O 115.255 -2.307 . . . . 0.0 110.902 -178.126 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.219 0 O-C-N 127.525 3.015 . . . . 0.0 111.038 178.964 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.782 0 C-N-CA 127.387 2.275 . . . . 0.0 113.768 -177.154 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 125.978 2.049 . . . . 0.0 112.176 -179.921 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.255 1.408 0 CA-C-N 121.34 1.882 . . . . 0.0 114.836 179.887 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.585 0 C-N-CA 124.805 1.242 . . . . 0.0 111.407 179.547 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 178.928 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.307 -1.247 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 178.232 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 O-C-N 124.837 1.335 . . . . 0.0 110.034 -178.682 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.331 0 CA-C-N 113.634 -1.621 . . . . 0.0 111.104 178.318 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.513 0 C-N-CA 127.117 2.167 . . . . 0.0 112.522 -178.565 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 113.692 -1.595 . . . . 0.0 111.987 179.765 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 116.752 -1.594 . . . . 0.0 111.631 -178.273 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 126.464 2.353 . . . . 0.0 107.529 178.9 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 C--N 1.312 -1.048 0 C-N-CA 126.413 1.885 . . . . 0.0 113.142 179.29 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.58 -179.198 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.161 0 O-C-N 124.436 1.085 . . . . 0.0 108.198 178.182 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-O 116.537 -1.697 . . . . 0.0 112.119 179.069 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.527 0 N-CA-C 115.9 1.815 . . . . 0.0 115.9 -179.761 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 O-C-N 124.479 1.112 . . . . 0.0 111.113 -177.898 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.311 -1.105 0 O-C-N 125.433 1.708 . . . . 0.0 111.335 -178.666 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.085 0 C-N-CA 127.31 2.244 . . . . 0.0 107.464 179.066 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 500' ' ' MXT . . . . . 0.788 ' O11' H231 ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 600' ' ' MXT . . . . . 0.88 ' O11' H231 ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.481 ' HB2' H121 ' A' ' 500' ' ' MXT . 24.6 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.295 0 O-C-N 125.664 1.852 . . . . 0.0 106.849 172.812 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.774 1 O-C-N 129.209 4.268 . . . . 0.0 107.976 -177.58 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.894 0 CA-C-N 121.009 1.731 . . . . 0.0 112.63 -178.468 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.502 2.144 0 CA-C-N 114.243 -1.344 . . . . 0.0 110.901 -179.046 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.186 0 C-N-CA 126.991 2.117 . . . . 0.0 110.234 -178.141 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.256 1.441 0 O-C-N 120.882 -1.136 . . . . 0.0 109.84 179.507 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.591 0 N-CA-C 105.945 -1.872 . . . . 0.0 105.945 -177.405 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 127.113 2.758 . . . . 0.0 107.842 179.755 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.78 0 CA-C-O 115.41 -2.233 . . . . 0.0 106.466 177.267 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.552 1 O-C-N 130.686 4.991 . . . . 0.0 106.314 178.346 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.137 0 CA-C-O 113.727 -3.035 . . . . 0.0 105.848 -179.808 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-N 121.133 1.788 . . . . 0.0 110.033 -177.754 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 125.891 1.994 . . . . 0.0 105.765 -176.568 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.364 0 O-C-N 127.532 3.02 . . . . 0.0 112.72 -176.343 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.937 0 O-C-N 127.253 2.846 . . . . 0.0 112.299 177.591 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.928 0 O-C-N 119.068 -2.27 . . . . 0.0 111.9 -179.655 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--O 1.225 -0.202 0 O-C-N 126.633 2.458 . . . . 0.0 109.643 -174.835 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.722 0 C-N-CA 124.689 3.593 . . . . 0.0 111.909 179.72 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.475 0.812 0 CA-C-N 111.76 -2.473 . . . . 0.0 106.775 179.148 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.265 0 O-C-N 127.51 3.374 . . . . 0.0 107.944 178.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.511 0 C-N-CA 121.826 1.684 . . . . 0.0 108.324 178.909 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.622 0 O-C-N 127.044 2.715 . . . . 0.0 112.185 179.943 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -2.0 0 C-N-CA 126.748 2.019 . . . . 0.0 114.872 -174.462 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.703 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 175.01 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 124.951 1.407 . . . . 0.0 113.665 -175.834 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.415 0 CA-C-O 117.461 -1.257 . . . . 0.0 112.785 -179.419 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.311 0 CA-C-N 121.743 2.065 . . . . 0.0 114.938 179.629 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.309 -1.512 0 C-N-CA 122.118 1.879 . . . . 0.0 113.312 178.117 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.907 0 C-N-CA 129.778 3.231 . . . . 0.0 112.307 178.844 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.041 0 O-C-N 119.378 -2.076 . . . . 0.0 109.527 178.017 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.559 1.325 0 CA-C-O 115.589 -2.148 . . . . 0.0 109.241 179.676 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 127.368 2.918 . . . . 0.0 109.397 179.572 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.224 0 O-C-N 120.342 -1.473 . . . . 0.0 112.87 177.194 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-O 121.977 0.894 . . . . 0.0 113.349 179.039 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.261 0 C-N-CA 126.465 1.906 . . . . 0.0 109.247 179.713 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 125.121 1.513 . . . . 0.0 110.215 175.873 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.169 0 C-N-CA 127.059 2.144 . . . . 0.0 114.61 178.834 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.009 0 CA-C-O 117.052 -1.971 . . . . 0.0 112.344 178.442 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-N 118.111 0.956 . . . . 0.0 108.482 179.296 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 176.059 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.246 0.918 0 C-N-CA 123.92 0.888 . . . . 0.0 112.892 -179.506 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.484 0 N-CA-C 115.007 1.484 . . . . 0.0 115.007 -175.588 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.31 -1.114 0 C-N-CA 125.062 1.345 . . . . 0.0 108.095 175.102 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 177.246 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.957 0 CA-C-N 114.305 -1.316 . . . . 0.0 110.069 -179.911 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-O 116.031 -1.938 . . . . 0.0 112.352 178.778 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.549 0 C-N-CA 126.88 2.072 . . . . 0.0 116.575 -174.879 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.6 0 CA-C-O 122.771 1.272 . . . . 0.0 112.259 -178.92 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 122.396 2.064 . . . . 0.0 115.086 -179.547 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 107.478 -1.304 . . . . 0.0 107.478 177.63 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.42 0 N-CA-C 115.176 1.546 . . . . 0.0 115.176 178.362 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.106 0 O-C-N 118.339 -2.726 . . . . 0.0 114.573 -179.067 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.253 1.266 0 N-CA-C 115.949 1.833 . . . . 0.0 115.949 179.71 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.064 0 CA-C-N 120.25 1.125 . . . . 0.0 114.912 -179.657 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.257 1.023 . . . . 0.0 112.005 179.865 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 O-C-N 125.075 1.485 . . . . 0.0 111.469 -179.764 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.337 0 N-CA-C 116.921 2.193 . . . . 0.0 116.921 179.087 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 127.656 2.382 . . . . 0.0 115.565 -178.01 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.246 0.883 0 N-CA-C 117.125 2.268 . . . . 0.0 117.125 -178.584 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.482 -2.023 0 CA-C-O 115.701 -2.722 . . . . 0.0 118.875 177.697 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.29 -1.979 0 CA-C-N 124.128 3.964 . . . . 0.0 111.382 179.732 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.175 0 CA-C-O 115.61 -2.138 . . . . 0.0 106.267 177.56 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.302 -1.497 0 O-C-N 125.542 1.776 . . . . 0.0 107.661 -179.011 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.472 0 O-C-N 125.821 1.951 . . . . 0.0 111.494 -179.678 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-O 122.053 0.93 . . . . 0.0 110.694 179.487 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.045 0 N-CA-C 106.762 -1.57 . . . . 0.0 106.762 -179.894 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.266 1.973 0 O-C-N 126.037 2.085 . . . . 0.0 116.241 -179.838 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.767 0 CA-C-O 117.928 -1.034 . . . . 0.0 112.635 -178.24 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.485 1.932 0 N-CA-C 107.828 -2.109 . . . . 0.0 107.828 -178.359 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 125.345 2.498 . . . . 0.0 112.705 -177.866 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.842 0 CA-C-N 110.903 -2.862 . . . . 0.0 110.421 179.215 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.314 -0.96 0 O-C-N 126.393 2.308 . . . . 0.0 105.42 176.619 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.356 0 N-CA-C 117.874 2.546 . . . . 0.0 117.874 -176.582 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 178.771 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 103.788 -2.671 . . . . 0.0 103.788 177.108 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 CA-C-N 112.026 -2.352 . . . . 0.0 108.027 -179.334 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.254 1.363 0 N-CA-C 118.49 2.156 . . . . 0.0 118.49 -178.206 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.674 0 CA-C-N 118.238 1.019 . . . . 0.0 112.294 -179.714 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.668 0 O-C-N 123.708 0.63 . . . . 0.0 112.632 -177.169 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 124.242 1.972 . . . . 0.0 110.083 -179.844 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.907 0 CA-C-N 113.416 -1.72 . . . . 0.0 108.388 -178.379 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 C--N 1.318 -0.429 0 CA-C-N 114.059 -1.428 . . . . 0.0 110.191 179.248 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 124.806 0.945 . . . . 0.0 110.009 179.931 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 1.011 0 CA-C-N 114.333 -1.303 . . . . 0.0 109.386 179.277 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.194 0 O-C-N 124.495 1.122 . . . . 0.0 110.201 178.881 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.31 -0.889 0 N-CA-C 119.059 2.384 . . . . 0.0 119.059 -179.706 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.833 0 O-C-N 120.864 -1.374 . . . . 0.0 109.097 179.502 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 178.611 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.916 0 O-C-N 125.619 1.824 . . . . 0.0 110.245 179.113 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.382 0.61 . . . . 0.0 111.914 -179.162 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 115.708 -2.091 . . . . 0.0 108.784 -177.927 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.293 -1.865 0 O-C-N 127.267 2.854 . . . . 0.0 110.348 178.738 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-O 117.668 -1.158 . . . . 0.0 109.534 -179.663 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 O-C-N 128.154 3.409 . . . . 0.0 112.818 -177.656 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.26 0 O-C-N 125.136 1.523 . . . . 0.0 111.754 -178.121 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 123.876 0.87 . . . . 0.0 110.173 178.309 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.947 0 N-CA-C 117.994 2.59 . . . . 0.0 117.994 175.62 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.058 0 C-N-CA 124.076 0.951 . . . . 0.0 109.047 177.517 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 127.429 2.955 . . . . 0.0 111.352 -177.939 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.385 0 C-N-CA 129.935 3.294 . . . . 0.0 109.023 178.286 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.246 0.918 0 O-C-N 126.803 2.564 . . . . 0.0 113.769 -178.078 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 115.259 1.577 . . . . 0.0 115.259 -178.419 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 124.709 1.255 . . . . 0.0 109.931 178.574 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.402 0 C-N-CA 123.99 0.916 . . . . 0.0 109.154 179.03 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.876 0 C-N-CA 123.497 0.719 . . . . 0.0 112.713 -178.45 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-O 116.985 -1.483 . . . . 0.0 111.028 -177.888 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 CA-C-O 116.79 -1.576 . . . . 0.0 110.708 -176.95 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.137 0 CA-C-N 119.524 1.056 . . . . 0.0 112.854 -178.888 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 124.979 1.312 . . . . 0.0 111.716 -178.496 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 125.02 1.45 . . . . 0.0 108.227 -179.545 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 126.517 2.386 . . . . 0.0 111.631 -178.924 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.009 0 C-N-CA 120.163 -0.615 . . . . 0.0 110.521 177.544 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 114.282 1.216 . . . . 0.0 114.282 -177.752 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.3 -1.562 0 C-N-CA 125.691 1.597 . . . . 0.0 111.211 177.42 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.467 0.716 0 O-C-N 121.349 -0.844 . . . . 0.0 114.254 -179.406 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.51 -0.583 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 179.218 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.67 0 O-C-N 119.869 -1.769 . . . . 0.0 109.691 -179.394 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.888 0 N-CA-C 116.314 1.968 . . . . 0.0 116.314 -176.931 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 125.268 1.605 . . . . 0.0 110.276 -176.63 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 112.513 -2.131 . . . . 0.0 108.289 176.017 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 N-CA-C 104.545 -2.391 . . . . 0.0 104.545 178.423 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 125.396 1.685 . . . . 0.0 108.291 -177.661 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.285 0 O-C-N 125.885 1.99 . . . . 0.0 111.003 -175.569 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.46 0 O-C-N 126.306 2.74 . . . . 0.0 115.009 -176.495 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.257 1.491 0 O-C-N 120.398 -1.439 . . . . 0.0 113.826 177.715 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.256 1.395 0 N-CA-C 115.583 1.697 . . . . 0.0 115.583 -176.96 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--N 1.295 -1.79 0 CA-C-O 115.13 -2.367 . . . . 0.0 112.775 -178.722 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.614 0 CA-C-N 120.908 1.686 . . . . 0.0 114.856 -177.97 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.053 0 C-N-CA 127.037 2.135 . . . . 0.0 111.206 -179.612 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 O-C-N 126.213 2.195 . . . . 0.0 110.466 -179.726 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.077 -1.453 . . . . 0.0 107.077 177.921 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.747 0 C-N-CA 126.538 1.935 . . . . 0.0 112.609 178.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.252 1.19 0 CA-C-N 113.193 -1.821 . . . . 0.0 111.412 -177.691 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.118 0 C-N-CA 123.855 0.862 . . . . 0.0 113.217 -179.053 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 104.153 -2.536 . . . . 0.0 104.153 177.465 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 104.833 -2.284 . . . . 0.0 104.833 178.664 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 128.528 3.642 . . . . 0.0 116.996 -175.624 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.584 4.383 0 N-CA-C 105.284 -3.126 . . . . 0.0 105.284 177.086 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.273 2.33 0 O-C-N 128.573 3.161 . . . . 0.0 106.489 179.772 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.244 0.785 0 C-N-CA 118.899 -1.121 . . . . 0.0 112.661 -177.672 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.728 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 177.499 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.855 0 CA-C-O 122.447 1.118 . . . . 0.0 108.082 176.429 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.294 0 C-N-CA 121.495 1.463 . . . . 0.0 111.879 -179.744 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 176.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 105.334 -2.098 . . . . 0.0 105.334 177.51 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 122.832 1.301 . . . . 0.0 110.096 -176.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.25 1.15 0 CA-C-N 112.631 -2.077 . . . . 0.0 112.746 179.812 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.228 0 CA-C-N 118.179 0.989 . . . . 0.0 110.71 179.879 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.933 0 O-C-N 123.515 1.271 . . . . 0.0 111.649 177.182 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 103.191 -2.892 . . . . 0.0 103.191 178.483 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.333 0 O-C-N 126.938 2.649 . . . . 0.0 112.182 -178.837 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.683 0 N-CA-C 107.602 -1.73 . . . . 0.0 107.602 -179.735 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.29 -1.99 0 O-C-N 128.13 3.394 . . . . 0.0 102.979 -179.878 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.985 0 CA-C-O 115.959 -1.972 . . . . 0.0 108.816 -178.784 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.544 1.883 0 N-CA-C 104.065 -3.614 . . . . 0.0 104.065 178.964 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.53 0 CA-C-O 115.685 -2.103 . . . . 0.0 109.523 -178.052 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.569 1.702 0 N-CA-C 103.693 -2.706 . . . . 0.0 103.693 -179.04 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.077 0 O-C-N 127.693 3.121 . . . . 0.0 113.533 -177.009 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 106.368 -1.715 . . . . 0.0 106.368 -178.699 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.501 2.968 0 O-C-N 126.31 2.256 . . . . 0.0 107.634 -178.927 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.533 -2.157 . . . . 0.0 110.271 -176.646 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--N 1.305 -1.356 0 N-CA-C 100.594 -3.854 . . . . 0.0 100.594 179.746 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.284 0 CA-C-O 115.213 -2.078 . . . . 0.0 112.144 -178.611 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.272 -2.802 0 CA-C-N 120.685 1.584 . . . . 0.0 109.568 177.81 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.429 0 CA-C-N 112.834 -1.984 . . . . 0.0 110.558 178.328 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.277 0 O-C-N 120.903 -1.123 . . . . 0.0 110.423 178.538 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.556 1.187 0 O-C-N 125.745 1.903 . . . . 0.0 110.232 -178.343 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.078 0 O-C-N 127.052 2.72 . . . . 0.0 107.064 178.948 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.484 -1.596 0 CA-C-O 122.168 0.985 . . . . 0.0 112.913 177.923 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.906 0 O-C-N 117.47 -3.269 . . . . 0.0 114.587 179.647 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.793 0 O-C-N 125.614 1.821 . . . . 0.0 108.112 179.521 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.573 1 O-C-N 129.26 4.1 . . . . 0.0 109.779 179.199 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 120.049 -1.657 . . . . 0.0 111.875 179.03 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.529 0 C-N-CA 125.08 1.352 . . . . 0.0 112.717 178.79 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.288 -2.091 0 C-N-CA 127.999 2.714 . . . . 0.0 114.286 -179.137 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.25 0 C-N-CA 128.251 2.621 . . . . 0.0 111.555 -178.976 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 C-N-CA 117.615 -1.634 . . . . 0.0 107.387 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.099 0 CA-C-O 117.305 -1.331 . . . . 0.0 108.967 -179.803 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.298 0 C-N-CA 122.878 2.385 . . . . 0.0 111.755 179.667 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.002 0 O-C-N 118.672 -2.518 . . . . 0.0 115.701 -177.421 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.055 0 C-N-CA 126.634 1.974 . . . . 0.0 110.97 -178.823 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.506 -0.919 0 C-N-CA 123.422 2.748 . . . . 0.0 115.496 177.554 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-N 121.318 1.872 . . . . 0.0 113.468 177.98 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 124.945 1.298 . . . . 0.0 108.048 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.843 0 C-N-CA 119.091 -1.044 . . . . 0.0 109.728 179.138 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.614 -0.679 . . . . 0.0 109.347 179.084 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 114.192 -1.367 . . . . 0.0 109.711 179.822 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-N 119.548 1.067 . . . . 0.0 111.932 -177.916 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-O 117.075 -1.441 . . . . 0.0 111.873 -177.995 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 -178.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.256 1.446 0 CA-C-N 114.541 -1.209 . . . . 0.0 109.191 179.717 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-O 124.871 2.272 . . . . 0.0 109.417 178.343 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.039 0 CA-C-N 112.79 -2.005 . . . . 0.0 111.265 178.766 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.725 0 CA-C-N 121.103 1.774 . . . . 0.0 112.755 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.253 1.282 0 CA-C-O 118.452 -0.785 . . . . 0.0 112.274 -176.353 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 O-C-N 124.11 0.881 . . . . 0.0 109.111 -179.32 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-O 115.242 -2.313 . . . . 0.0 110.912 -178.145 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.231 0 O-C-N 127.604 3.065 . . . . 0.0 111.032 178.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.765 0 C-N-CA 127.376 2.27 . . . . 0.0 113.777 -177.158 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 125.939 2.024 . . . . 0.0 112.216 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.253 1.335 0 CA-C-N 121.32 1.873 . . . . 0.0 114.828 179.836 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.26 1.606 0 C-N-CA 124.782 1.233 . . . . 0.0 111.416 179.534 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 178.968 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.214 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 178.251 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.944 0 O-C-N 124.831 1.332 . . . . 0.0 110.002 -178.636 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 113.645 -1.616 . . . . 0.0 111.017 178.363 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.302 -1.494 0 C-N-CA 127.143 2.177 . . . . 0.0 112.54 -178.56 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 113.649 -1.614 . . . . 0.0 111.987 179.807 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.681 0 CA-C-O 116.735 -1.602 . . . . 0.0 111.639 -178.268 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 126.532 2.395 . . . . 0.0 107.558 178.893 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 C--N 1.312 -1.029 0 C-N-CA 126.393 1.877 . . . . 0.0 113.124 179.279 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.631 -179.217 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.174 0 O-C-N 124.416 1.072 . . . . 0.0 108.231 178.155 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-O 116.529 -1.701 . . . . 0.0 112.086 179.035 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.257 1.498 0 N-CA-C 115.964 1.838 . . . . 0.0 115.964 -179.767 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 O-C-N 124.541 1.151 . . . . 0.0 111.11 -177.938 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.121 0 O-C-N 125.453 1.72 . . . . 0.0 111.373 -178.668 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.063 0 C-N-CA 127.268 2.227 . . . . 0.0 107.481 179.061 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 500' ' ' MXT . . . . . 0.657 ' O12' H231 ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 600' ' ' MXT . . . . . 0.906 ' O11' H231 ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.422 ' O ' ' O11' ' A' ' 500' ' ' MXT . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.858 ' N ' H122 ' A' ' 500' ' ' MXT . 0.5 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.68 ' H ' H121 ' A' ' 500' ' ' MXT . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.506 2.329 0 O-C-N 125.664 1.852 . . . . 0.0 106.834 169.598 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.734 1 O-C-N 129.206 4.266 . . . . 0.0 107.962 -175.508 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.937 0 CA-C-N 121.001 1.728 . . . . 0.0 112.641 -178.002 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.22 0 CA-C-N 114.205 -1.361 . . . . 0.0 110.895 -177.877 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.195 0 C-N-CA 127.006 2.122 . . . . 0.0 110.262 -177.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.256 1.419 0 O-C-N 120.847 -1.158 . . . . 0.0 109.828 -179.249 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.565 0 N-CA-C 105.925 -1.88 . . . . 0.0 105.925 -178.09 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 127.099 2.749 . . . . 0.0 107.812 178.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.572 1.792 0 CA-C-O 115.455 -2.212 . . . . 0.0 106.422 179.308 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.511 2.581 1 O-C-N 130.715 5.01 . . . . 0.0 106.315 176.49 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.159 0 CA-C-O 113.767 -3.016 . . . . 0.0 105.84 -179.803 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.47 0 CA-C-N 121.124 1.784 . . . . 0.0 110.081 -177.775 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.8 0 O-C-N 125.854 1.971 . . . . 0.0 105.803 -176.625 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.254 1.33 0 O-C-N 127.555 3.035 . . . . 0.0 112.808 -176.372 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.945 0 O-C-N 127.208 2.818 . . . . 0.0 112.304 177.588 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.316 -0.89 0 O-C-N 119.063 -2.273 . . . . 0.0 111.908 -179.66 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.331 -0.205 0 O-C-N 126.606 2.441 . . . . 0.0 109.692 -174.885 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.756 0 C-N-CA 124.668 3.578 . . . . 0.0 111.909 179.717 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.84 0 CA-C-N 111.778 -2.465 . . . . 0.0 106.71 179.189 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.257 0 O-C-N 127.582 3.411 . . . . 0.0 107.909 178.96 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.532 0 C-N-CA 121.828 1.686 . . . . 0.0 108.288 178.886 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.585 0 O-C-N 127.04 2.712 . . . . 0.0 112.187 179.923 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.993 0 C-N-CA 126.779 2.032 . . . . 0.0 114.881 -174.44 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.687 0 N-CA-C 107.732 -1.211 . . . . 0.0 107.732 174.965 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.298 0 O-C-N 124.896 1.373 . . . . 0.0 113.66 -175.781 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.437 0 CA-C-O 117.403 -1.284 . . . . 0.0 112.768 -179.39 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.295 0 CA-C-N 121.767 2.076 . . . . 0.0 114.931 179.632 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.477 0 C-N-CA 122.145 1.896 . . . . 0.0 113.347 178.036 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.878 0 C-N-CA 129.781 3.232 . . . . 0.0 112.272 178.878 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.045 0 O-C-N 119.365 -2.085 . . . . 0.0 109.493 177.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.334 0 CA-C-O 115.614 -2.136 . . . . 0.0 109.262 179.75 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 127.391 2.932 . . . . 0.0 109.333 179.611 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.214 0 O-C-N 120.301 -1.499 . . . . 0.0 112.871 177.193 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-O 121.997 0.903 . . . . 0.0 113.351 179.035 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.272 0 C-N-CA 126.488 1.915 . . . . 0.0 109.227 179.752 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 125.064 1.477 . . . . 0.0 110.239 175.88 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.146 0 C-N-CA 127.073 2.149 . . . . 0.0 114.593 178.873 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.545 1.938 0 CA-C-O 117.094 -1.948 . . . . 0.0 112.367 178.492 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-N 118.153 0.976 . . . . 0.0 108.492 179.281 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 176.001 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.966 0 C-N-CA 123.946 0.898 . . . . 0.0 112.86 -179.54 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.495 0 N-CA-C 114.931 1.456 . . . . 0.0 114.931 -175.471 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.103 0 C-N-CA 125.076 1.351 . . . . 0.0 108.111 175.058 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 177.304 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.21 -0.976 0 CA-C-N 114.28 -1.327 . . . . 0.0 110.071 -179.918 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-O 115.969 -1.967 . . . . 0.0 112.3 178.794 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.546 0 N-CA-C 116.583 2.068 . . . . 0.0 116.583 -174.863 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.615 0 CA-C-O 122.795 1.283 . . . . 0.0 112.294 -178.943 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.448 -1.18 0 C-N-CA 122.396 2.064 . . . . 0.0 115.094 -179.529 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 177.674 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.401 0 N-CA-C 115.181 1.548 . . . . 0.0 115.181 178.342 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.497 -1.075 0 O-C-N 118.342 -2.724 . . . . 0.0 114.58 -179.029 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.336 0 N-CA-C 115.969 1.84 . . . . 0.0 115.969 179.703 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.074 0 CA-C-N 120.287 1.138 . . . . 0.0 114.857 -179.622 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.318 1.047 . . . . 0.0 112.011 179.906 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 O-C-N 125.071 1.482 . . . . 0.0 111.469 -179.72 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.317 0 N-CA-C 116.891 2.182 . . . . 0.0 116.891 179.115 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 127.648 2.379 . . . . 0.0 115.564 -178.004 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.844 0 N-CA-C 117.114 2.264 . . . . 0.0 117.114 -178.529 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.482 -2.03 0 CA-C-O 115.705 -2.719 . . . . 0.0 118.885 177.665 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.954 0 CA-C-N 124.149 3.975 . . . . 0.0 111.353 179.729 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-O 115.681 -2.104 . . . . 0.0 106.255 177.489 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.302 -1.474 0 O-C-N 125.49 1.744 . . . . 0.0 107.677 -178.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.256 1.436 0 O-C-N 125.784 1.927 . . . . 0.0 111.505 -179.691 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-O 122.075 0.94 . . . . 0.0 110.709 179.46 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.043 0 N-CA-C 106.713 -1.588 . . . . 0.0 106.713 -179.922 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 2.01 0 O-C-N 126.086 2.116 . . . . 0.0 116.208 -179.844 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.797 0 CA-C-O 117.92 -1.038 . . . . 0.0 112.621 -178.232 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 1.972 0 N-CA-C 107.86 -2.096 . . . . 0.0 107.86 -178.383 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 125.355 2.502 . . . . 0.0 112.666 -177.816 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.246 0.87 0 CA-C-N 110.902 -2.863 . . . . 0.0 110.398 179.183 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -0.989 0 O-C-N 126.348 2.28 . . . . 0.0 105.404 176.607 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.377 0 N-CA-C 117.77 2.507 . . . . 0.0 117.77 -176.532 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 178.81 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 103.801 -2.666 . . . . 0.0 103.801 177.096 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 CA-C-N 112.009 -2.359 . . . . 0.0 108.011 -179.297 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.312 0 N-CA-C 118.574 2.189 . . . . 0.0 118.574 -178.258 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.709 0 O-C-N 121.415 -1.05 . . . . 0.0 112.215 -179.638 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.688 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -177.179 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.834 0 CA-C-O 124.248 1.975 . . . . 0.0 110.056 -179.821 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.247 0.934 0 CA-C-N 113.449 -1.705 . . . . 0.0 108.331 -178.388 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.463 0.499 0 CA-C-N 114.065 -1.425 . . . . 0.0 110.162 179.328 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 124.788 0.934 . . . . 0.0 110.037 179.922 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.988 0 CA-C-N 114.345 -1.298 . . . . 0.0 109.333 179.345 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.19 0 O-C-N 124.529 1.143 . . . . 0.0 110.225 178.848 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 CA--C 1.501 -0.842 0 N-CA-C 119.054 2.381 . . . . 0.0 119.054 -179.672 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.861 0 O-C-N 120.841 -1.388 . . . . 0.0 109.074 179.521 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 178.628 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.894 0 O-C-N 125.678 1.861 . . . . 0.0 110.233 179.126 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.324 0.583 . . . . 0.0 111.924 -179.192 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 115.739 -2.076 . . . . 0.0 108.802 -177.917 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.293 -1.861 0 O-C-N 127.267 2.854 . . . . 0.0 110.36 178.729 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 117.673 -1.156 . . . . 0.0 109.612 -179.719 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 O-C-N 128.156 3.41 . . . . 0.0 112.835 -177.726 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.252 1.234 0 O-C-N 125.106 1.504 . . . . 0.0 111.758 -178.086 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 123.846 0.859 . . . . 0.0 110.193 178.245 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.971 0 N-CA-C 118.02 2.6 . . . . 0.0 118.02 175.651 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.041 0 C-N-CA 124.059 0.944 . . . . 0.0 109.043 177.558 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 127.426 2.954 . . . . 0.0 111.391 -177.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.396 0 C-N-CA 129.981 3.312 . . . . 0.0 109.007 178.285 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.246 0.92 0 O-C-N 126.811 2.57 . . . . 0.0 113.778 -178.127 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 115.297 1.592 . . . . 0.0 115.297 -178.429 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 124.737 1.273 . . . . 0.0 109.903 178.581 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.41 0 C-N-CA 123.998 0.919 . . . . 0.0 109.178 178.974 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 123.456 0.703 . . . . 0.0 112.679 -178.421 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-O 117.023 -1.465 . . . . 0.0 110.991 -177.835 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 CA-C-O 116.782 -1.58 . . . . 0.0 110.659 -176.901 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.143 0 CA-C-N 119.579 1.082 . . . . 0.0 112.817 -178.843 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 124.924 1.29 . . . . 0.0 111.696 -178.482 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 125.043 1.464 . . . . 0.0 108.277 -179.568 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.295 -1.768 0 O-C-N 126.551 2.407 . . . . 0.0 111.634 -178.945 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.023 0 C-N-CA 120.211 -0.595 . . . . 0.0 110.51 177.544 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.734 0 N-CA-C 114.298 1.221 . . . . 0.0 114.298 -177.734 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 125.681 1.593 . . . . 0.0 111.243 177.384 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 C--O 1.243 0.687 0 O-C-N 121.3 -0.875 . . . . 0.0 114.218 -179.436 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.604 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 179.251 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 119.839 -1.788 . . . . 0.0 109.658 -179.352 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.442 -0.87 0 N-CA-C 116.341 1.978 . . . . 0.0 116.341 -176.971 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 125.304 1.627 . . . . 0.0 110.324 -176.694 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 112.528 -2.124 . . . . 0.0 108.298 176.023 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 N-CA-C 104.51 -2.404 . . . . 0.0 104.51 178.476 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 125.375 1.672 . . . . 0.0 108.301 -177.685 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.3 0 O-C-N 125.897 1.998 . . . . 0.0 111.011 -175.591 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.453 0 O-C-N 126.285 2.729 . . . . 0.0 115.026 -176.516 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.257 1.489 0 O-C-N 120.435 -1.416 . . . . 0.0 113.851 177.662 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.346 0 N-CA-C 115.635 1.716 . . . . 0.0 115.635 -176.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.264 1.819 0 CA-C-O 115.077 -2.392 . . . . 0.0 112.803 -178.703 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.652 0 CA-C-N 120.906 1.685 . . . . 0.0 114.851 -178.044 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.311 -1.077 0 C-N-CA 127.03 2.132 . . . . 0.0 111.191 -179.554 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 O-C-N 126.269 2.231 . . . . 0.0 110.459 -179.724 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 125.388 1.475 . . . . 0.0 107.054 177.913 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.261 1.707 0 C-N-CA 126.591 1.956 . . . . 0.0 112.588 179.035 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.252 1.196 0 CA-C-N 113.207 -1.815 . . . . 0.0 111.453 -177.736 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.152 0 C-N-CA 123.879 0.872 . . . . 0.0 113.147 -179.117 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 104.166 -2.531 . . . . 0.0 104.166 177.416 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 104.783 -2.303 . . . . 0.0 104.783 178.728 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 128.487 3.617 . . . . 0.0 116.94 -175.587 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.328 0 N-CA-C 105.326 -3.11 . . . . 0.0 105.326 177.09 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.273 2.341 0 O-C-N 128.507 3.122 . . . . 0.0 106.507 179.81 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.848 0 C-N-CA 118.975 -1.09 . . . . 0.0 112.706 -177.607 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.752 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 177.568 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.244 0.785 0 CA-C-O 122.437 1.113 . . . . 0.0 108.105 176.426 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.276 0 C-N-CA 121.521 1.481 . . . . 0.0 111.843 -179.692 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 176.964 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 105.382 -2.081 . . . . 0.0 105.382 177.468 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 122.816 1.293 . . . . 0.0 110.11 -176.899 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.172 0 CA-C-N 112.62 -2.082 . . . . 0.0 112.747 179.178 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.232 0 CA-C-N 118.197 0.998 . . . . 0.0 110.755 179.615 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.451 -0.972 0 O-C-N 123.449 1.236 . . . . 0.0 111.661 177.154 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 103.168 -2.901 . . . . 0.0 103.168 178.811 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.306 -1.325 0 O-C-N 126.918 2.636 . . . . 0.0 112.216 -178.805 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.44 -1.644 0 N-CA-C 107.59 -1.735 . . . . 0.0 107.59 -179.725 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.974 0 O-C-N 128.104 3.377 . . . . 0.0 103.008 -179.728 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.991 0 CA-C-O 116.006 -1.95 . . . . 0.0 108.833 179.574 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.825 0 N-CA-C 104.065 -3.614 . . . . 0.0 104.065 -179.54 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.504 0 CA-C-O 115.682 -2.104 . . . . 0.0 109.483 -178.74 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.728 0 N-CA-C 103.67 -2.715 . . . . 0.0 103.67 -177.955 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.092 0 O-C-N 127.753 3.158 . . . . 0.0 113.521 -177.552 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 -178.409 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.952 0 O-C-N 126.255 2.222 . . . . 0.0 107.629 -179.003 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.521 -2.164 . . . . 0.0 110.271 -177.389 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.253 1.281 0 O-C-N 116.307 -3.995 . . . . 0.0 100.612 -177.386 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 CA-C-O 115.21 -2.079 . . . . 0.0 112.066 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.808 0 CA-C-N 120.716 1.598 . . . . 0.0 109.537 177.824 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.412 0 CA-C-N 112.84 -1.982 . . . . 0.0 110.551 178.357 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.322 0 O-C-N 120.944 -1.097 . . . . 0.0 110.44 178.559 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.148 0 O-C-N 125.806 1.941 . . . . 0.0 110.26 -178.368 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.078 0 O-C-N 127.018 2.699 . . . . 0.0 107.034 178.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.606 0 CA-C-O 122.18 0.99 . . . . 0.0 112.86 177.919 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.875 0 O-C-N 117.464 -3.273 . . . . 0.0 114.593 179.711 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.808 0 O-C-N 125.646 1.841 . . . . 0.0 108.16 179.466 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.57 1 O-C-N 129.281 4.113 . . . . 0.0 109.755 179.208 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 120.036 -1.665 . . . . 0.0 111.89 179.102 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 125.108 1.363 . . . . 0.0 112.778 178.73 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.29 -2.025 0 C-N-CA 127.97 2.7 . . . . 0.0 114.281 -179.221 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.273 2.295 0 C-N-CA 128.206 2.602 . . . . 0.0 111.517 -179.274 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 C-N-CA 117.605 -1.638 . . . . 0.0 107.392 -179.934 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.289 -2.059 0 CA-C-O 117.28 -1.343 . . . . 0.0 108.991 -179.926 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.862 2.375 . . . . 0.0 111.77 179.084 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 0.994 0 O-C-N 118.644 -2.535 . . . . 0.0 115.742 -178.018 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.026 0 C-N-CA 126.616 1.966 . . . . 0.0 110.964 176.727 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.955 0 C-N-CA 123.414 2.743 . . . . 0.0 115.498 -179.276 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-N 121.312 1.869 . . . . 0.0 113.466 177.992 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 124.964 1.306 . . . . 0.0 108.031 -179.937 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.85 0 C-N-CA 119.051 -1.06 . . . . 0.0 109.746 179.102 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.59 -0.694 . . . . 0.0 109.292 179.11 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 114.269 -1.332 . . . . 0.0 109.794 179.806 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-N 119.532 1.06 . . . . 0.0 111.949 -177.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-O 117.084 -1.436 . . . . 0.0 111.856 -178.023 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 115.062 1.505 . . . . 0.0 115.062 -178.923 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.258 1.503 0 CA-C-N 114.566 -1.197 . . . . 0.0 109.165 179.713 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-O 124.899 2.285 . . . . 0.0 109.409 178.331 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.499 -1.015 0 CA-C-N 112.716 -2.038 . . . . 0.0 111.314 178.794 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.295 -1.78 0 CA-C-N 121.127 1.785 . . . . 0.0 112.71 179.838 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.293 0 CA-C-O 118.41 -0.805 . . . . 0.0 112.239 -176.244 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 O-C-N 124.087 0.867 . . . . 0.0 109.119 -179.33 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-O 115.246 -2.311 . . . . 0.0 110.916 -178.129 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.205 0 O-C-N 127.601 3.063 . . . . 0.0 111.021 178.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.405 2.282 . . . . 0.0 113.756 -177.142 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 126.011 2.069 . . . . 0.0 112.222 -179.906 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.381 0 CA-C-N 121.339 1.881 . . . . 0.0 114.798 179.857 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.557 0 C-N-CA 124.806 1.243 . . . . 0.0 111.457 179.541 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 178.918 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 178.229 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 O-C-N 124.822 1.326 . . . . 0.0 110.042 -178.659 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 113.617 -1.629 . . . . 0.0 111.029 178.362 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.509 0 C-N-CA 127.158 2.183 . . . . 0.0 112.543 -178.574 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 113.674 -1.603 . . . . 0.0 111.976 179.794 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-O 116.773 -1.584 . . . . 0.0 111.673 -178.291 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 126.511 2.382 . . . . 0.0 107.542 178.887 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.066 0 C-N-CA 126.424 1.89 . . . . 0.0 113.126 179.305 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.656 -179.23 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-O 122.344 1.069 . . . . 0.0 108.222 178.107 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 116.552 -1.689 . . . . 0.0 112.122 179.044 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.518 0 N-CA-C 115.891 1.812 . . . . 0.0 115.891 -179.775 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 O-C-N 124.456 1.098 . . . . 0.0 111.073 -177.868 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.127 0 O-C-N 125.456 1.723 . . . . 0.0 111.367 -178.655 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.061 0 C-N-CA 127.226 2.21 . . . . 0.0 107.454 179.13 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 500' ' ' MXT . . . . . 0.881 H231 ' O11' ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 600' ' ' MXT . . . . . 0.642 H231 ' O12' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.516 ' HB2' H121 ' A' ' 500' ' ' MXT . 8.9 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.506 2.328 0 O-C-N 125.664 1.852 . . . . 0.0 106.848 172.879 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.761 1 O-C-N 129.171 4.248 . . . . 0.0 107.955 -177.685 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.903 0 CA-C-N 120.955 1.707 . . . . 0.0 112.634 -178.464 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.209 0 CA-C-N 114.215 -1.357 . . . . 0.0 110.905 -179.284 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.157 0 C-N-CA 126.97 2.108 . . . . 0.0 110.244 -177.555 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.472 0 O-C-N 120.879 -1.138 . . . . 0.0 109.861 -179.817 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.584 0 N-CA-C 105.955 -1.869 . . . . 0.0 105.955 -177.273 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 127.141 2.775 . . . . 0.0 107.868 179.906 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.753 0 CA-C-O 115.431 -2.223 . . . . 0.0 106.498 177.94 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.556 1 O-C-N 130.665 4.978 . . . . 0.0 106.349 178.23 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.167 0 CA-C-O 113.715 -3.04 . . . . 0.0 105.856 -179.763 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-N 121.21 1.823 . . . . 0.0 110.043 -177.788 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.779 0 O-C-N 125.896 1.997 . . . . 0.0 105.753 -176.567 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.256 1.395 0 O-C-N 127.511 3.007 . . . . 0.0 112.738 -176.398 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.971 0 O-C-N 127.225 2.828 . . . . 0.0 112.235 177.672 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 122.172 2.26 . . . . 0.0 111.892 -179.66 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.331 -0.224 0 O-C-N 126.626 2.454 . . . . 0.0 109.71 -174.868 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.719 0 C-N-CA 124.666 3.577 . . . . 0.0 111.921 179.73 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.837 0 CA-C-N 111.735 -2.484 . . . . 0.0 106.74 179.149 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.316 -1.183 0 O-C-N 127.499 3.368 . . . . 0.0 107.907 179.006 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.532 0 C-N-CA 121.867 1.711 . . . . 0.0 108.327 178.839 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.607 0 O-C-N 127.054 2.721 . . . . 0.0 112.142 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.291 -1.973 0 C-N-CA 126.766 2.026 . . . . 0.0 114.912 -174.459 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.57 1.736 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 175.038 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 124.994 1.433 . . . . 0.0 113.654 -175.777 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.257 1.464 0 CA-C-O 117.395 -1.288 . . . . 0.0 112.783 -179.425 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.296 0 CA-C-N 121.735 2.061 . . . . 0.0 114.948 179.624 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 C-N-CA 122.148 1.899 . . . . 0.0 113.298 178.099 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.264 1.853 0 C-N-CA 129.771 3.228 . . . . 0.0 112.309 178.907 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.313 -1.018 0 O-C-N 119.445 -2.034 . . . . 0.0 109.553 177.956 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.353 0 CA-C-O 115.526 -2.178 . . . . 0.0 109.184 179.752 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 127.419 2.95 . . . . 0.0 109.355 179.638 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.223 0 O-C-N 120.254 -1.528 . . . . 0.0 112.893 177.18 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 122.026 0.917 . . . . 0.0 113.37 179.007 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.306 -1.287 0 C-N-CA 126.54 1.936 . . . . 0.0 109.233 179.718 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 125.117 1.51 . . . . 0.0 110.218 175.927 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.144 0 C-N-CA 127.077 2.151 . . . . 0.0 114.582 178.845 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 1.988 0 CA-C-O 117.102 -1.943 . . . . 0.0 112.38 178.458 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 118.107 0.954 . . . . 0.0 108.478 179.278 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 176.095 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.246 0.917 0 C-N-CA 123.913 0.885 . . . . 0.0 112.888 -179.533 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.463 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 -175.571 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.31 -1.134 0 C-N-CA 125.021 1.329 . . . . 0.0 108.07 175.085 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 177.27 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.21 -0.977 0 CA-C-N 114.281 -1.327 . . . . 0.0 110.04 -179.901 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-O 116.016 -1.945 . . . . 0.0 112.318 178.8 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.278 -2.537 0 N-CA-C 116.536 2.05 . . . . 0.0 116.536 -174.863 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.602 0 CA-C-O 122.703 1.24 . . . . 0.0 112.297 -178.917 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 122.393 2.062 . . . . 0.0 115.091 -179.567 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 177.654 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.431 0 N-CA-C 115.143 1.534 . . . . 0.0 115.143 178.363 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.105 0 O-C-N 118.362 -2.711 . . . . 0.0 114.606 -179.103 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.29 0 N-CA-C 115.984 1.846 . . . . 0.0 115.984 179.652 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.027 0 CA-C-N 120.275 1.134 . . . . 0.0 114.795 -179.571 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.272 1.029 . . . . 0.0 112.047 179.86 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 O-C-N 125.122 1.514 . . . . 0.0 111.485 -179.754 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.315 0 N-CA-C 116.923 2.194 . . . . 0.0 116.923 179.125 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 127.609 2.364 . . . . 0.0 115.556 -178.078 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.864 0 N-CA-C 117.102 2.26 . . . . 0.0 117.102 -178.512 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.482 -2.014 0 CA-C-O 115.661 -2.744 . . . . 0.0 118.854 177.653 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.959 0 CA-C-N 124.159 3.98 . . . . 0.0 111.34 179.723 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-O 115.684 -2.103 . . . . 0.0 106.266 177.528 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.302 -1.465 0 O-C-N 125.45 1.719 . . . . 0.0 107.672 -178.964 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.497 0 O-C-N 125.823 1.952 . . . . 0.0 111.502 -179.655 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-O 122.102 0.954 . . . . 0.0 110.708 179.502 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.049 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 -179.874 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.266 1.963 0 O-C-N 126.037 2.086 . . . . 0.0 116.234 -179.826 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.806 0 CA-C-O 117.946 -1.026 . . . . 0.0 112.607 -178.288 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.485 1.965 0 N-CA-C 107.787 -2.125 . . . . 0.0 107.787 -178.378 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 125.372 2.51 . . . . 0.0 112.648 -177.791 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.861 0 CA-C-N 110.859 -2.882 . . . . 0.0 110.402 179.182 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 126.362 2.289 . . . . 0.0 105.394 176.634 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.406 0 N-CA-C 117.798 2.518 . . . . 0.0 117.798 -176.586 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.806 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 103.86 -2.645 . . . . 0.0 103.86 177.023 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 CA-C-N 112.032 -2.349 . . . . 0.0 107.994 -179.308 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.254 1.37 0 N-CA-C 118.548 2.179 . . . . 0.0 118.548 -178.234 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.695 0 O-C-N 121.436 -1.037 . . . . 0.0 112.223 -179.639 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.653 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -177.145 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.842 0 CA-C-O 124.261 1.982 . . . . 0.0 110.057 -179.821 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.883 0 CA-C-N 113.428 -1.715 . . . . 0.0 108.369 -178.407 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 C--N 1.318 -0.472 0 CA-C-N 114.074 -1.421 . . . . 0.0 110.157 179.313 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 124.841 0.965 . . . . 0.0 110.023 179.93 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.995 0 CA-C-N 114.367 -1.288 . . . . 0.0 109.357 179.31 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.484 1.232 0 O-C-N 124.464 1.102 . . . . 0.0 110.157 178.862 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.853 0 N-CA-C 119.041 2.376 . . . . 0.0 119.041 -179.65 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.866 0 O-C-N 120.89 -1.359 . . . . 0.0 109.129 179.502 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.302 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 178.583 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.902 0 O-C-N 125.668 1.855 . . . . 0.0 110.269 179.087 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.313 0.578 . . . . 0.0 111.887 -179.176 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 115.743 -2.075 . . . . 0.0 108.832 -177.927 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.896 0 O-C-N 127.215 2.822 . . . . 0.0 110.349 178.705 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 117.701 -1.143 . . . . 0.0 109.614 -179.717 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 O-C-N 128.148 3.405 . . . . 0.0 112.834 -177.734 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.262 0 O-C-N 125.081 1.488 . . . . 0.0 111.778 -178.092 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 123.89 0.876 . . . . 0.0 110.149 178.305 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 118.01 2.596 . . . . 0.0 118.01 175.688 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.311 -1.076 0 C-N-CA 124.086 0.954 . . . . 0.0 109.054 177.503 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 127.461 2.976 . . . . 0.0 111.41 -177.938 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.379 0 C-N-CA 129.991 3.316 . . . . 0.0 108.958 178.31 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.941 0 O-C-N 126.805 2.565 . . . . 0.0 113.786 -178.138 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 115.237 1.569 . . . . 0.0 115.237 -178.364 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 124.736 1.272 . . . . 0.0 109.91 178.517 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.407 0 C-N-CA 123.968 0.907 . . . . 0.0 109.178 179.006 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.857 0 C-N-CA 123.484 0.714 . . . . 0.0 112.727 -178.516 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-O 116.95 -1.5 . . . . 0.0 110.984 -177.838 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 CA-C-O 116.745 -1.598 . . . . 0.0 110.691 -176.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.132 0 CA-C-N 119.559 1.072 . . . . 0.0 112.849 -178.848 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 124.955 1.302 . . . . 0.0 111.663 -178.466 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 125.014 1.446 . . . . 0.0 108.307 -179.596 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 126.532 2.395 . . . . 0.0 111.593 -178.909 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.249 1.057 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.491 177.57 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 -177.715 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 125.683 1.593 . . . . 0.0 111.262 177.387 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.467 0.713 0 O-C-N 121.356 -0.84 . . . . 0.0 114.219 -179.432 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.508 -0.64 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 179.22 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 119.786 -1.821 . . . . 0.0 109.634 -179.359 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 116.336 1.976 . . . . 0.0 116.336 -176.962 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 125.248 1.592 . . . . 0.0 110.285 -176.639 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 112.507 -2.133 . . . . 0.0 108.347 176.008 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 N-CA-C 104.487 -2.412 . . . . 0.0 104.487 178.468 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 125.377 1.673 . . . . 0.0 108.299 -177.7 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.268 0 O-C-N 125.865 1.978 . . . . 0.0 110.957 -175.541 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.445 0 O-C-N 126.321 2.748 . . . . 0.0 115.015 -176.521 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.528 0 O-C-N 120.46 -1.4 . . . . 0.0 113.783 177.722 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.256 1.41 0 N-CA-C 115.597 1.703 . . . . 0.0 115.597 -176.958 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.264 1.818 0 CA-C-O 115.104 -2.379 . . . . 0.0 112.748 -178.691 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.609 0 CA-C-N 120.896 1.68 . . . . 0.0 114.854 -177.984 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.053 0 C-N-CA 127.021 2.128 . . . . 0.0 111.221 -179.556 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 O-C-N 126.301 2.251 . . . . 0.0 110.46 -179.768 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 125.374 1.47 . . . . 0.0 107.089 177.914 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.263 1.77 0 C-N-CA 126.511 1.924 . . . . 0.0 112.596 179.019 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.155 0 CA-C-N 113.259 -1.791 . . . . 0.0 111.405 -177.673 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.132 0 C-N-CA 123.827 0.851 . . . . 0.0 113.15 -179.117 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 104.161 -2.533 . . . . 0.0 104.161 177.446 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 104.88 -2.267 . . . . 0.0 104.88 178.638 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 128.492 3.62 . . . . 0.0 116.963 -175.576 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.329 0 N-CA-C 105.333 -3.107 . . . . 0.0 105.333 177.082 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.273 2.341 0 O-C-N 128.484 3.108 . . . . 0.0 106.533 179.788 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.818 0 C-N-CA 118.935 -1.106 . . . . 0.0 112.715 -177.612 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.766 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 177.505 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.852 0 CA-C-O 122.487 1.137 . . . . 0.0 108.066 176.399 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.29 0 C-N-CA 121.504 1.469 . . . . 0.0 111.913 -179.794 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 177.042 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 105.365 -2.087 . . . . 0.0 105.365 177.509 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 122.837 1.303 . . . . 0.0 110.157 -176.868 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.25 1.137 0 CA-C-N 112.649 -2.069 . . . . 0.0 112.781 179.385 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.212 0 CA-C-N 118.174 0.987 . . . . 0.0 110.737 179.693 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.958 0 O-C-N 123.508 1.268 . . . . 0.0 111.631 177.196 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.039 0 N-CA-C 103.181 -2.896 . . . . 0.0 103.181 178.562 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.336 0 O-C-N 126.886 2.616 . . . . 0.0 112.206 -178.772 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.68 0 N-CA-C 107.543 -1.753 . . . . 0.0 107.543 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.944 0 O-C-N 128.097 3.373 . . . . 0.0 103.009 -179.544 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.266 1.96 0 CA-C-O 116.003 -1.951 . . . . 0.0 108.825 -178.405 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.836 0 N-CA-C 104.099 -3.601 . . . . 0.0 104.099 179.788 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.501 0 CA-C-O 115.654 -2.117 . . . . 0.0 109.482 -177.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.718 0 N-CA-C 103.72 -2.696 . . . . 0.0 103.72 -178.994 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.066 0 O-C-N 127.74 3.15 . . . . 0.0 113.498 -177.56 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 106.314 -1.736 . . . . 0.0 106.314 -178.291 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.949 0 O-C-N 126.285 2.241 . . . . 0.0 107.597 -179.129 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.429 -2.218 . . . . 0.0 110.271 -177.414 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.312 0 N-CA-C 100.625 -3.842 . . . . 0.0 100.625 -177.49 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.28 0 CA-C-O 115.254 -2.061 . . . . 0.0 112.128 179.546 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.805 0 CA-C-N 120.7 1.591 . . . . 0.0 109.54 177.799 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.416 0 CA-C-N 112.873 -1.967 . . . . 0.0 110.563 178.309 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.432 -1.328 0 O-C-N 120.917 -1.114 . . . . 0.0 110.455 178.533 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.146 0 O-C-N 125.799 1.937 . . . . 0.0 110.259 -178.385 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.083 0 O-C-N 126.997 2.685 . . . . 0.0 107.02 178.982 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.601 0 CA-C-O 122.16 0.981 . . . . 0.0 112.905 177.905 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.891 0 O-C-N 117.487 -3.258 . . . . 0.0 114.59 179.675 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.791 0 O-C-N 125.642 1.839 . . . . 0.0 108.14 179.478 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.299 -1.607 1 O-C-N 129.232 4.083 . . . . 0.0 109.749 179.203 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 120.057 -1.652 . . . . 0.0 111.849 179.119 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.543 0 C-N-CA 125.138 1.375 . . . . 0.0 112.733 178.754 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.056 0 C-N-CA 128.005 2.717 . . . . 0.0 114.271 -179.45 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.273 2.324 0 C-N-CA 128.284 2.634 . . . . 0.0 111.503 -178.764 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 C-N-CA 117.626 -1.63 . . . . 0.0 107.397 179.189 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.108 0 CA-C-O 117.227 -1.368 . . . . 0.0 108.978 -179.238 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.309 0 C-N-CA 122.874 2.383 . . . . 0.0 111.82 178.205 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.249 1.033 0 O-C-N 118.656 -2.527 . . . . 0.0 115.7 -176.746 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.311 -1.072 0 C-N-CA 126.635 1.974 . . . . 0.0 110.981 179.823 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.939 0 C-N-CA 123.464 2.776 . . . . 0.0 115.504 176.334 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-N 121.265 1.848 . . . . 0.0 113.457 177.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 124.988 1.315 . . . . 0.0 107.995 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.85 0 C-N-CA 119.073 -1.051 . . . . 0.0 109.762 179.147 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.556 -0.715 . . . . 0.0 109.29 179.107 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 114.222 -1.354 . . . . 0.0 109.747 179.836 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 119.59 1.086 . . . . 0.0 111.973 -177.973 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-O 117.087 -1.435 . . . . 0.0 111.864 -178.071 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 114.994 1.479 . . . . 0.0 114.994 -178.888 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.256 1.447 0 CA-C-N 114.566 -1.197 . . . . 0.0 109.189 179.773 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-O 124.906 2.289 . . . . 0.0 109.397 178.302 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.025 0 CA-C-N 112.738 -2.028 . . . . 0.0 111.291 178.799 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.745 0 CA-C-N 121.147 1.794 . . . . 0.0 112.706 179.863 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.318 0 CA-C-O 118.419 -0.801 . . . . 0.0 112.253 -176.28 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 O-C-N 124.091 0.87 . . . . 0.0 109.101 -179.308 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-O 115.227 -2.321 . . . . 0.0 110.869 -178.087 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.309 -1.186 0 O-C-N 127.578 3.049 . . . . 0.0 111.044 178.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.799 0 C-N-CA 127.382 2.273 . . . . 0.0 113.779 -177.199 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 125.97 2.044 . . . . 0.0 112.215 -179.938 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.358 0 CA-C-N 121.292 1.86 . . . . 0.0 114.819 179.832 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.589 0 C-N-CA 124.784 1.234 . . . . 0.0 111.418 179.587 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 178.879 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.226 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 178.248 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 O-C-N 124.822 1.327 . . . . 0.0 110.033 -178.708 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 113.665 -1.607 . . . . 0.0 110.986 178.391 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 127.157 2.183 . . . . 0.0 112.515 -178.504 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 113.702 -1.59 . . . . 0.0 112.011 179.745 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-O 116.756 -1.592 . . . . 0.0 111.682 -178.29 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 126.547 2.404 . . . . 0.0 107.592 178.852 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.06 0 C-N-CA 126.402 1.881 . . . . 0.0 113.171 179.236 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.618 -179.203 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-O 122.341 1.067 . . . . 0.0 108.25 178.08 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 116.611 -1.662 . . . . 0.0 112.165 179.036 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.519 0 N-CA-C 115.846 1.795 . . . . 0.0 115.846 -179.732 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 O-C-N 124.514 1.134 . . . . 0.0 111.131 -177.904 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.13 0 O-C-N 125.484 1.74 . . . . 0.0 111.372 -178.679 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.089 0 C-N-CA 127.235 2.214 . . . . 0.0 107.475 179.103 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 500' ' ' MXT . . . . . 0.892 H231 ' O11' ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 600' ' ' MXT . . . . . 0.919 H231 ' O11' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.783 ' C ' H111 ' A' ' 500' ' ' MXT . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 1.241 ' H ' ' C11' ' A' ' 500' ' ' MXT . 26.5 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.286 0 O-C-N 125.664 1.852 . . . . 0.0 106.88 172.393 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.716 1 O-C-N 129.132 4.227 . . . . 0.0 107.985 -177.456 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.934 0 CA-C-N 121.034 1.743 . . . . 0.0 112.634 -178.39 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.188 0 CA-C-N 114.217 -1.356 . . . . 0.0 110.939 -178.594 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.183 0 C-N-CA 126.961 2.105 . . . . 0.0 110.213 -178.318 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.256 1.422 0 O-C-N 120.855 -1.153 . . . . 0.0 109.834 179.684 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.577 0 N-CA-C 105.927 -1.879 . . . . 0.0 105.927 -177.519 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 127.103 2.752 . . . . 0.0 107.816 -179.787 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.766 0 CA-C-O 115.458 -2.21 . . . . 0.0 106.451 176.961 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.556 1 O-C-N 130.669 4.981 . . . . 0.0 106.254 178.615 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.125 0 CA-C-O 113.737 -3.03 . . . . 0.0 105.877 -179.812 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-N 121.153 1.797 . . . . 0.0 110.053 -177.777 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 125.857 1.973 . . . . 0.0 105.773 -176.575 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.254 1.338 0 O-C-N 127.472 2.982 . . . . 0.0 112.736 -176.341 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.97 0 O-C-N 127.163 2.789 . . . . 0.0 112.252 177.645 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 122.135 2.243 . . . . 0.0 111.916 -179.653 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.331 -0.209 0 O-C-N 126.623 2.452 . . . . 0.0 109.7 -174.852 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.717 0 C-N-CA 124.7 3.6 . . . . 0.0 111.954 179.738 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.855 0 CA-C-N 111.704 -2.498 . . . . 0.0 106.735 179.122 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.315 -1.233 0 O-C-N 127.516 3.377 . . . . 0.0 107.906 178.979 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.501 0 CA-C-O 116.125 -1.698 . . . . 0.0 108.331 178.88 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.428 -1.566 0 O-C-N 127.114 2.759 . . . . 0.0 112.175 179.919 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.291 -1.975 0 C-N-CA 126.725 2.01 . . . . 0.0 114.907 -174.473 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.568 1.665 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 175.025 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 124.854 1.346 . . . . 0.0 113.65 -175.807 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.441 0 CA-C-O 117.388 -1.292 . . . . 0.0 112.743 -179.375 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.253 1.265 0 CA-C-N 121.781 2.082 . . . . 0.0 114.935 179.615 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.482 0 C-N-CA 122.157 1.905 . . . . 0.0 113.289 178.124 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.902 0 C-N-CA 129.777 3.231 . . . . 0.0 112.26 178.905 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.311 -1.072 0 O-C-N 119.408 -2.058 . . . . 0.0 109.495 177.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.559 1.308 0 CA-C-O 115.598 -2.144 . . . . 0.0 109.268 179.701 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 127.346 2.904 . . . . 0.0 109.366 179.587 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.211 0 O-C-N 120.278 -1.514 . . . . 0.0 112.902 177.163 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 122.057 0.932 . . . . 0.0 113.383 179.027 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.25 0 C-N-CA 126.469 1.908 . . . . 0.0 109.242 179.725 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 125.091 1.495 . . . . 0.0 110.22 175.907 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.15 0 C-N-CA 127.07 2.148 . . . . 0.0 114.606 178.804 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.017 0 CA-C-O 117.063 -1.965 . . . . 0.0 112.366 178.478 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 118.123 0.962 . . . . 0.0 108.493 179.306 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 107.27 -1.382 . . . . 0.0 107.27 176.007 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.246 0.917 0 C-N-CA 123.906 0.883 . . . . 0.0 112.871 -179.472 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.45 0 N-CA-C 114.986 1.476 . . . . 0.0 114.986 -175.588 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.31 -1.129 0 C-N-CA 125.013 1.325 . . . . 0.0 108.115 175.102 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.315 -0.897 0 O-C-N 124.52 1.138 . . . . 0.0 107.945 177.286 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.956 0 CA-C-N 114.32 -1.309 . . . . 0.0 110.066 -179.903 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-O 116.042 -1.932 . . . . 0.0 112.351 178.771 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.569 0 N-CA-C 116.585 2.068 . . . . 0.0 116.585 -174.876 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.59 0 CA-C-O 122.749 1.261 . . . . 0.0 112.296 -178.959 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 122.385 2.057 . . . . 0.0 115.102 -179.542 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 177.588 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.418 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 178.337 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.106 0 O-C-N 118.324 -2.735 . . . . 0.0 114.606 -179.078 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.329 0 N-CA-C 115.97 1.841 . . . . 0.0 115.97 179.705 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.502 -1.08 0 CA-C-N 120.316 1.148 . . . . 0.0 114.864 -179.639 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.284 1.034 . . . . 0.0 112.013 179.864 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 O-C-N 125.097 1.498 . . . . 0.0 111.525 -179.764 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.311 0 N-CA-C 116.914 2.191 . . . . 0.0 116.914 179.083 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 127.651 2.38 . . . . 0.0 115.577 -178.055 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.246 0.886 0 N-CA-C 117.123 2.268 . . . . 0.0 117.123 -178.565 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.08 0 CA-C-O 115.683 -2.732 . . . . 0.0 118.848 177.621 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.965 0 CA-C-N 124.184 3.992 . . . . 0.0 111.36 179.709 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 115.595 -2.145 . . . . 0.0 106.295 177.528 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.505 0 O-C-N 125.519 1.762 . . . . 0.0 107.672 -179.032 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.461 0 O-C-N 125.773 1.92 . . . . 0.0 111.504 -179.66 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-O 122.115 0.959 . . . . 0.0 110.694 179.494 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.058 0 N-CA-C 106.763 -1.569 . . . . 0.0 106.763 -179.89 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 1.992 0 O-C-N 126.003 2.064 . . . . 0.0 116.208 -179.831 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.783 0 CA-C-O 117.871 -1.062 . . . . 0.0 112.582 -178.268 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.485 1.929 0 N-CA-C 107.822 -2.111 . . . . 0.0 107.822 -178.373 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 125.359 2.504 . . . . 0.0 112.697 -177.851 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.825 0 CA-C-N 110.916 -2.856 . . . . 0.0 110.43 179.196 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.314 -0.962 0 O-C-N 126.371 2.294 . . . . 0.0 105.386 176.644 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.425 0 N-CA-C 117.785 2.513 . . . . 0.0 117.785 -176.57 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 178.764 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 103.821 -2.659 . . . . 0.0 103.821 177.027 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 CA-C-N 111.992 -2.367 . . . . 0.0 108.021 -179.332 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.254 1.346 0 N-CA-C 118.541 2.177 . . . . 0.0 118.541 -178.248 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.707 0 O-C-N 121.433 -1.039 . . . . 0.0 112.258 -179.708 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.667 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -177.171 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.495 1.811 0 CA-C-O 124.222 1.963 . . . . 0.0 110.059 -179.771 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.875 0 CA-C-N 113.438 -1.71 . . . . 0.0 108.388 -178.43 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 C--N 1.318 -0.468 0 CA-C-N 114.041 -1.436 . . . . 0.0 110.139 179.317 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 124.86 0.976 . . . . 0.0 110.017 179.904 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 1.005 0 CA-C-N 114.375 -1.284 . . . . 0.0 109.347 179.308 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.179 0 O-C-N 124.464 1.102 . . . . 0.0 110.195 178.89 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.812 0 N-CA-C 119.065 2.386 . . . . 0.0 119.065 -179.684 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.829 0 O-C-N 120.945 -1.326 . . . . 0.0 109.102 179.497 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 107.079 -1.452 . . . . 0.0 107.079 178.63 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.266 1.925 0 O-C-N 125.687 1.867 . . . . 0.0 110.265 179.119 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.288 0.566 . . . . 0.0 111.858 -179.162 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 115.706 -2.092 . . . . 0.0 108.865 -177.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.905 0 O-C-N 127.232 2.833 . . . . 0.0 110.375 178.67 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 117.65 -1.167 . . . . 0.0 109.556 -179.673 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 O-C-N 128.116 3.385 . . . . 0.0 112.864 -177.77 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.256 0 O-C-N 125.114 1.509 . . . . 0.0 111.717 -178.059 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 123.892 0.877 . . . . 0.0 110.213 178.261 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.96 0 N-CA-C 118.065 2.617 . . . . 0.0 118.065 175.7 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.039 0 C-N-CA 124.074 0.949 . . . . 0.0 109.026 177.562 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 127.473 2.983 . . . . 0.0 111.349 -177.966 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.382 0 C-N-CA 129.944 3.298 . . . . 0.0 108.992 178.308 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.246 0.898 0 O-C-N 126.779 2.55 . . . . 0.0 113.758 -178.104 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 -178.407 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 124.719 1.262 . . . . 0.0 109.929 178.529 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.303 -1.446 0 C-N-CA 124.026 0.93 . . . . 0.0 109.199 178.982 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.868 0 C-N-CA 123.47 0.708 . . . . 0.0 112.716 -178.481 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-O 117.045 -1.455 . . . . 0.0 111.009 -177.823 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 CA-C-O 116.733 -1.603 . . . . 0.0 110.712 -176.939 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.175 0 CA-C-N 119.581 1.082 . . . . 0.0 112.853 -178.89 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 124.944 1.298 . . . . 0.0 111.711 -178.51 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 125.063 1.477 . . . . 0.0 108.29 -179.586 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.741 0 O-C-N 126.543 2.402 . . . . 0.0 111.62 -178.933 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 0.992 0 C-N-CA 120.213 -0.595 . . . . 0.0 110.496 177.57 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 -177.757 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.535 0 C-N-CA 125.705 1.602 . . . . 0.0 111.243 177.378 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 C--O 1.243 0.679 0 O-C-N 121.32 -0.862 . . . . 0.0 114.253 -179.393 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.617 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 179.218 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 119.841 -1.787 . . . . 0.0 109.689 -179.413 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.878 0 N-CA-C 116.308 1.966 . . . . 0.0 116.308 -176.905 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 125.246 1.591 . . . . 0.0 110.274 -176.589 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 112.501 -2.136 . . . . 0.0 108.273 176.003 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 N-CA-C 104.499 -2.408 . . . . 0.0 104.499 178.486 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 125.362 1.664 . . . . 0.0 108.262 -177.694 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.263 0 O-C-N 125.869 1.981 . . . . 0.0 110.936 -175.498 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.453 0 O-C-N 126.265 2.718 . . . . 0.0 115.03 -176.46 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.505 0 O-C-N 120.403 -1.436 . . . . 0.0 113.769 177.682 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.358 0 N-CA-C 115.602 1.704 . . . . 0.0 115.602 -176.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.263 1.813 0 CA-C-O 115.103 -2.38 . . . . 0.0 112.787 -178.753 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.623 0 CA-C-N 120.881 1.673 . . . . 0.0 114.852 -177.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 127.036 2.134 . . . . 0.0 111.233 -179.59 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 O-C-N 126.206 2.191 . . . . 0.0 110.523 -179.795 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 125.321 1.448 . . . . 0.0 107.106 177.824 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.261 1.708 0 C-N-CA 126.575 1.95 . . . . 0.0 112.597 179.002 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.252 1.197 0 CA-C-N 113.207 -1.815 . . . . 0.0 111.421 -177.705 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.309 -1.177 0 C-N-CA 123.845 0.858 . . . . 0.0 113.151 -179.1 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 104.118 -2.549 . . . . 0.0 104.118 177.439 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 104.845 -2.28 . . . . 0.0 104.845 178.649 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 128.495 3.622 . . . . 0.0 116.952 -175.57 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.32 0 N-CA-C 105.323 -3.111 . . . . 0.0 105.323 177.071 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.273 2.325 0 O-C-N 128.459 3.093 . . . . 0.0 106.548 179.783 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.848 0 C-N-CA 118.92 -1.112 . . . . 0.0 112.712 -177.58 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.756 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 177.547 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.244 0.795 0 CA-C-O 122.486 1.136 . . . . 0.0 108.049 176.442 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.283 0 C-N-CA 121.491 1.461 . . . . 0.0 111.873 -179.735 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 176.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 105.344 -2.095 . . . . 0.0 105.344 177.494 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 122.777 1.275 . . . . 0.0 110.136 -176.9 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.182 0 CA-C-N 112.665 -2.061 . . . . 0.0 112.799 -179.628 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.202 0 CA-C-N 118.167 0.983 . . . . 0.0 110.759 179.877 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.956 0 O-C-N 123.514 1.27 . . . . 0.0 111.669 177.402 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 103.144 -2.91 . . . . 0.0 103.144 178.451 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.306 -1.303 0 O-C-N 126.848 2.593 . . . . 0.0 112.218 -178.69 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.44 -1.645 0 N-CA-C 107.566 -1.744 . . . . 0.0 107.566 179.871 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.29 -1.979 0 O-C-N 128.126 3.391 . . . . 0.0 102.991 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.989 0 CA-C-O 115.982 -1.961 . . . . 0.0 108.809 -178.948 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 C--N 1.293 -1.813 0 N-CA-C 104.094 -3.602 . . . . 0.0 104.094 179.486 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.257 1.495 0 CA-C-O 115.693 -2.099 . . . . 0.0 109.48 -178.915 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.714 0 N-CA-C 103.701 -2.703 . . . . 0.0 103.701 -179.225 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.498 -1.054 0 O-C-N 127.75 3.156 . . . . 0.0 113.562 -176.972 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 106.338 -1.727 . . . . 0.0 106.338 -178.565 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.945 0 O-C-N 126.281 2.238 . . . . 0.0 107.662 -178.927 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.386 -2.244 . . . . 0.0 110.271 -176.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.329 0 N-CA-C 100.637 -3.838 . . . . 0.0 100.637 179.533 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.445 -1.329 0 CA-C-O 115.26 -2.058 . . . . 0.0 112.131 -178.913 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.804 0 CA-C-N 120.693 1.588 . . . . 0.0 109.617 177.752 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.423 0 CA-C-N 112.866 -1.97 . . . . 0.0 110.621 178.269 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.298 0 O-C-N 120.982 -1.074 . . . . 0.0 110.417 178.565 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.173 0 O-C-N 125.846 1.966 . . . . 0.0 110.262 -178.36 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.289 -2.055 0 O-C-N 127.068 2.73 . . . . 0.0 107.082 178.943 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.634 0 CA-C-O 122.229 1.014 . . . . 0.0 112.957 177.9 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.89 0 O-C-N 117.419 -3.301 . . . . 0.0 114.535 179.666 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.573 1.832 0 O-C-N 125.578 1.799 . . . . 0.0 108.129 179.566 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.567 1 O-C-N 129.27 4.106 . . . . 0.0 109.78 179.173 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 120.034 -1.666 . . . . 0.0 111.853 179.056 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 125.091 1.356 . . . . 0.0 112.773 178.753 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.048 0 C-N-CA 128.042 2.734 . . . . 0.0 114.303 -178.551 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.249 0 C-N-CA 128.258 2.623 . . . . 0.0 111.491 -178.63 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 C-N-CA 117.565 -1.654 . . . . 0.0 107.392 179.923 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.1 0 CA-C-O 117.291 -1.338 . . . . 0.0 108.975 -179.91 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.294 0 C-N-CA 122.864 2.376 . . . . 0.0 111.778 179.077 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.022 0 O-C-N 118.627 -2.546 . . . . 0.0 115.702 -178.122 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.311 -1.074 0 C-N-CA 126.665 1.986 . . . . 0.0 110.95 179.64 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.506 -0.894 0 C-N-CA 123.422 2.748 . . . . 0.0 115.489 -179.148 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.703 0 CA-C-N 121.29 1.859 . . . . 0.0 113.451 177.962 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 124.949 1.3 . . . . 0.0 107.986 -179.943 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.86 0 C-N-CA 119.079 -1.048 . . . . 0.0 109.756 179.112 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.555 -0.715 . . . . 0.0 109.308 179.107 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 114.237 -1.347 . . . . 0.0 109.692 179.85 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 119.64 1.109 . . . . 0.0 111.909 -177.919 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.025 0 CA-C-O 117.09 -1.433 . . . . 0.0 111.864 -178.004 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 115.076 1.51 . . . . 0.0 115.076 -178.959 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.448 0 CA-C-N 114.554 -1.203 . . . . 0.0 109.208 179.727 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-O 124.847 2.261 . . . . 0.0 109.43 178.263 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.036 0 CA-C-N 112.747 -2.024 . . . . 0.0 111.256 178.806 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 121.136 1.789 . . . . 0.0 112.762 179.878 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.293 0 CA-C-O 118.473 -0.775 . . . . 0.0 112.255 -176.263 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 O-C-N 124.079 0.862 . . . . 0.0 109.108 -179.339 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-O 115.174 -2.346 . . . . 0.0 110.855 -178.07 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.211 0 O-C-N 127.591 3.057 . . . . 0.0 111.015 179.005 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.799 0 C-N-CA 127.383 2.273 . . . . 0.0 113.768 -177.167 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 126.001 2.063 . . . . 0.0 112.193 -179.919 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.253 1.344 0 CA-C-N 121.28 1.855 . . . . 0.0 114.824 179.841 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.58 0 C-N-CA 124.784 1.233 . . . . 0.0 111.411 179.596 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 178.942 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 178.242 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.94 0 O-C-N 124.792 1.308 . . . . 0.0 110.003 -178.628 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-N 113.619 -1.628 . . . . 0.0 111.045 178.368 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 127.151 2.181 . . . . 0.0 112.539 -178.602 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 113.657 -1.61 . . . . 0.0 112.012 179.797 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-O 116.762 -1.59 . . . . 0.0 111.673 -178.303 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 126.497 2.373 . . . . 0.0 107.579 178.873 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.058 0 C-N-CA 126.392 1.877 . . . . 0.0 113.148 179.257 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.643 -179.217 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.172 0 O-C-N 124.444 1.09 . . . . 0.0 108.211 178.128 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 116.542 -1.694 . . . . 0.0 112.098 179.059 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.516 0 N-CA-C 115.908 1.818 . . . . 0.0 115.908 -179.76 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 O-C-N 124.456 1.098 . . . . 0.0 111.115 -177.908 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.129 0 O-C-N 125.421 1.701 . . . . 0.0 111.398 -178.7 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.051 0 C-N-CA 127.236 2.214 . . . . 0.0 107.485 179.089 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 500' ' ' MXT . . . . . 1.241 ' C11' ' H ' ' A' ' 41' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 600' ' ' MXT . . . . . 0.757 H231 ' O12' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.451 ' O ' H232 ' A' ' 500' ' ' MXT . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 1.057 ' HA ' H122 ' A' ' 500' ' ' MXT . 13.9 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.71 ' H ' H121 ' A' ' 500' ' ' MXT . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.287 0 O-C-N 125.664 1.852 . . . . 0.0 106.866 169.552 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.779 1 O-C-N 129.2 4.263 . . . . 0.0 107.979 -175.836 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.936 0 CA-C-N 121.006 1.73 . . . . 0.0 112.61 -178.402 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.192 0 CA-C-N 114.2 -1.364 . . . . 0.0 110.907 -177.47 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.171 0 C-N-CA 126.982 2.113 . . . . 0.0 110.241 -177.188 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.456 0 O-C-N 120.859 -1.151 . . . . 0.0 109.824 177.018 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.569 0 N-CA-C 105.961 -1.866 . . . . 0.0 105.961 -178.2 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 127.128 2.767 . . . . 0.0 107.834 178.254 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.774 0 CA-C-O 115.444 -2.217 . . . . 0.0 106.47 178.396 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 C--N 1.278 -2.523 1 O-C-N 130.667 4.98 . . . . 0.0 106.356 177.465 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.134 0 CA-C-O 113.765 -3.017 . . . . 0.0 105.853 -179.78 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.451 0 CA-C-N 121.126 1.785 . . . . 0.0 110.05 -177.778 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.769 0 O-C-N 125.853 1.971 . . . . 0.0 105.744 -176.562 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.361 0 O-C-N 127.497 2.998 . . . . 0.0 112.716 -176.364 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.94 0 O-C-N 127.206 2.816 . . . . 0.0 112.241 177.678 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.923 0 O-C-N 119.057 -2.277 . . . . 0.0 111.889 -179.656 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--O 1.225 -0.218 0 O-C-N 126.626 2.453 . . . . 0.0 109.701 -174.869 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.741 0 C-N-CA 124.656 3.571 . . . . 0.0 111.979 179.669 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.828 0 CA-C-N 111.747 -2.478 . . . . 0.0 106.757 179.147 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.251 0 O-C-N 127.539 3.389 . . . . 0.0 107.927 178.974 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.329 -0.493 0 C-N-CA 121.854 1.702 . . . . 0.0 108.327 178.841 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.598 0 O-C-N 127.02 2.7 . . . . 0.0 112.179 179.92 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.993 0 C-N-CA 126.764 2.026 . . . . 0.0 114.889 -174.483 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.71 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 174.997 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 124.865 1.353 . . . . 0.0 113.661 -175.795 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.257 1.449 0 CA-C-O 117.391 -1.29 . . . . 0.0 112.788 -179.445 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.253 1.279 0 CA-C-N 121.725 2.057 . . . . 0.0 114.967 179.577 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.311 -1.427 0 C-N-CA 122.153 1.902 . . . . 0.0 113.31 178.108 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.905 0 C-N-CA 129.807 3.243 . . . . 0.0 112.23 178.934 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.065 0 O-C-N 119.434 -2.041 . . . . 0.0 109.522 177.987 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.559 1.319 0 CA-C-O 115.567 -2.159 . . . . 0.0 109.269 179.697 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 127.405 2.94 . . . . 0.0 109.385 179.54 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.234 0 O-C-N 120.267 -1.521 . . . . 0.0 112.883 177.185 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-O 122.015 0.912 . . . . 0.0 113.335 179.077 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.273 0 C-N-CA 126.478 1.911 . . . . 0.0 109.237 179.712 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 125.131 1.519 . . . . 0.0 110.276 175.858 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.138 0 C-N-CA 127.107 2.163 . . . . 0.0 114.573 178.863 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 1.973 0 CA-C-O 117.136 -1.924 . . . . 0.0 112.388 178.468 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-N 118.114 0.957 . . . . 0.0 108.532 179.25 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 107.251 -1.388 . . . . 0.0 107.251 176.054 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.97 0 C-N-CA 123.953 0.901 . . . . 0.0 112.849 -179.508 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.499 0 N-CA-C 114.992 1.479 . . . . 0.0 114.992 -175.52 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.31 -1.133 0 C-N-CA 125.041 1.337 . . . . 0.0 108.08 175.103 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 177.285 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.21 -0.978 0 CA-C-N 114.293 -1.321 . . . . 0.0 110.104 -179.899 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-O 116.018 -1.944 . . . . 0.0 112.315 178.833 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.544 0 N-CA-C 116.56 2.059 . . . . 0.0 116.56 -174.917 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.601 0 CA-C-O 122.709 1.242 . . . . 0.0 112.298 -178.904 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 122.375 2.05 . . . . 0.0 115.159 -179.574 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 177.62 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.404 0 N-CA-C 115.174 1.546 . . . . 0.0 115.174 178.333 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.11 0 O-C-N 118.308 -2.745 . . . . 0.0 114.634 -179.078 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.304 0 N-CA-C 115.929 1.826 . . . . 0.0 115.929 179.694 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.051 0 CA-C-N 120.297 1.142 . . . . 0.0 114.887 -179.609 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.318 1.047 . . . . 0.0 112.012 179.873 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 O-C-N 125.095 1.497 . . . . 0.0 111.534 -179.781 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.328 0 N-CA-C 116.924 2.194 . . . . 0.0 116.924 179.107 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 127.662 2.385 . . . . 0.0 115.546 -178.04 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.246 0.875 0 N-CA-C 117.098 2.259 . . . . 0.0 117.098 -178.505 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.482 -2.024 0 CA-C-O 115.65 -2.75 . . . . 0.0 118.806 177.658 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.29 -1.999 1 CA-C-N 124.219 4.01 . . . . 0.0 111.389 179.711 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-O 115.652 -2.118 . . . . 0.0 106.282 177.469 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.302 -1.496 0 O-C-N 125.495 1.747 . . . . 0.0 107.634 -178.924 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.256 1.433 0 O-C-N 125.792 1.932 . . . . 0.0 111.48 -179.698 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-O 122.063 0.935 . . . . 0.0 110.688 179.456 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.043 0 N-CA-C 106.732 -1.581 . . . . 0.0 106.732 -179.897 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.266 1.96 0 O-C-N 125.978 2.049 . . . . 0.0 116.187 -179.779 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.777 0 CA-C-O 117.925 -1.036 . . . . 0.0 112.605 -178.253 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.485 1.959 0 N-CA-C 107.78 -2.128 . . . . 0.0 107.78 -178.43 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 125.383 2.516 . . . . 0.0 112.683 -177.831 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.244 0.807 0 CA-C-N 110.878 -2.873 . . . . 0.0 110.434 179.199 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.314 -0.949 0 O-C-N 126.377 2.298 . . . . 0.0 105.422 176.649 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.413 0 N-CA-C 117.787 2.514 . . . . 0.0 117.787 -176.53 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 178.809 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 103.875 -2.639 . . . . 0.0 103.875 177.061 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 CA-C-N 111.991 -2.368 . . . . 0.0 108.014 -179.305 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.29 0 N-CA-C 118.55 2.18 . . . . 0.0 118.55 -178.24 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.243 0.736 0 O-C-N 121.456 -1.026 . . . . 0.0 112.25 -179.665 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.614 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -177.223 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.828 0 CA-C-O 124.253 1.978 . . . . 0.0 110.025 -179.747 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.872 0 CA-C-N 113.391 -1.731 . . . . 0.0 108.37 -178.35 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.464 0.5 0 CA-C-N 114.029 -1.441 . . . . 0.0 110.195 179.273 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 124.821 0.953 . . . . 0.0 110.021 179.915 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.981 0 CA-C-N 114.419 -1.264 . . . . 0.0 109.349 179.294 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.187 0 O-C-N 124.508 1.13 . . . . 0.0 110.223 178.853 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.833 0 N-CA-C 119.03 2.372 . . . . 0.0 119.03 -179.667 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.214 -0.812 0 O-C-N 120.871 -1.37 . . . . 0.0 109.109 179.496 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 178.605 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.898 0 O-C-N 125.719 1.887 . . . . 0.0 110.251 179.168 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.312 0.577 . . . . 0.0 111.911 -179.189 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 115.708 -2.092 . . . . 0.0 108.813 -177.985 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.894 0 O-C-N 127.285 2.866 . . . . 0.0 110.366 178.746 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 117.665 -1.159 . . . . 0.0 109.571 -179.685 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 O-C-N 128.134 3.396 . . . . 0.0 112.798 -177.714 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.252 1.229 0 O-C-N 125.121 1.513 . . . . 0.0 111.754 -178.057 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 123.831 0.852 . . . . 0.0 110.207 178.275 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.292 -1.927 0 N-CA-C 118.007 2.595 . . . . 0.0 118.007 175.619 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.313 -1.016 0 C-N-CA 124.081 0.952 . . . . 0.0 109.127 177.521 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 127.415 2.947 . . . . 0.0 111.34 -177.957 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 129.968 3.307 . . . . 0.0 108.992 178.326 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.246 0.898 0 O-C-N 126.795 2.559 . . . . 0.0 113.747 -178.123 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 -178.365 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 124.743 1.277 . . . . 0.0 109.911 178.582 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.303 -1.422 0 C-N-CA 124.001 0.92 . . . . 0.0 109.212 178.983 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.87 0 C-N-CA 123.465 0.706 . . . . 0.0 112.698 -178.414 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-O 116.993 -1.479 . . . . 0.0 110.964 -177.838 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 CA-C-O 116.756 -1.592 . . . . 0.0 110.666 -176.921 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.252 1.197 0 CA-C-N 119.593 1.088 . . . . 0.0 112.838 -178.849 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 125.001 1.32 . . . . 0.0 111.697 -178.512 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 125.063 1.477 . . . . 0.0 108.279 -179.592 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 126.553 2.408 . . . . 0.0 111.654 -178.955 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 0.989 0 C-N-CA 120.18 -0.608 . . . . 0.0 110.501 177.576 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 -177.743 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.532 0 C-N-CA 125.676 1.591 . . . . 0.0 111.219 177.375 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 C--O 1.243 0.672 0 O-C-N 121.31 -0.869 . . . . 0.0 114.211 -179.397 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.617 0 N-CA-C 113.237 0.828 . . . . 0.0 113.237 179.229 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.653 0 O-C-N 119.846 -1.784 . . . . 0.0 109.634 -179.34 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.893 0 N-CA-C 116.426 2.01 . . . . 0.0 116.426 -177.008 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 125.323 1.639 . . . . 0.0 110.305 -176.62 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 112.588 -2.096 . . . . 0.0 108.273 176.055 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 N-CA-C 104.527 -2.398 . . . . 0.0 104.527 178.454 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 125.388 1.68 . . . . 0.0 108.298 -177.653 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.292 0 O-C-N 125.931 2.019 . . . . 0.0 111.021 -175.608 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.456 0 O-C-N 126.285 2.729 . . . . 0.0 115.04 -176.524 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.51 0 O-C-N 120.435 -1.415 . . . . 0.0 113.848 177.67 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.256 1.406 0 N-CA-C 115.616 1.71 . . . . 0.0 115.616 -176.991 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.263 1.803 0 CA-C-O 115.042 -2.409 . . . . 0.0 112.717 -178.649 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.261 1.665 0 CA-C-N 120.932 1.697 . . . . 0.0 114.807 -177.946 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.051 0 C-N-CA 127.063 2.145 . . . . 0.0 111.197 -179.523 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 126.188 2.18 . . . . 0.0 110.5 -179.784 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 107.028 -1.471 . . . . 0.0 107.028 177.902 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.747 0 C-N-CA 126.554 1.942 . . . . 0.0 112.61 179.041 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.175 0 CA-C-N 113.249 -1.796 . . . . 0.0 111.373 -177.682 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.309 -1.165 0 C-N-CA 123.833 0.853 . . . . 0.0 113.171 -179.071 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 104.152 -2.536 . . . . 0.0 104.152 177.465 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 104.824 -2.287 . . . . 0.0 104.824 178.683 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 128.475 3.609 . . . . 0.0 117.012 -175.622 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.329 0 N-CA-C 105.324 -3.11 . . . . 0.0 105.324 177.088 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.273 2.324 0 O-C-N 128.49 3.112 . . . . 0.0 106.556 179.783 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.849 0 C-N-CA 118.915 -1.114 . . . . 0.0 112.682 -177.613 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 177.544 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.846 0 CA-C-O 122.391 1.091 . . . . 0.0 108.127 176.44 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.306 0 C-N-CA 121.513 1.475 . . . . 0.0 111.838 -179.689 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 176.988 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 105.371 -2.085 . . . . 0.0 105.371 177.464 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 122.798 1.285 . . . . 0.0 110.095 -176.915 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.164 0 CA-C-N 112.703 -2.044 . . . . 0.0 112.769 179.422 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.222 0 CA-C-N 118.156 0.978 . . . . 0.0 110.742 179.838 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.947 0 O-C-N 123.468 1.246 . . . . 0.0 111.649 177.032 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 103.141 -2.911 . . . . 0.0 103.141 178.592 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.334 0 O-C-N 126.829 2.581 . . . . 0.0 112.244 -178.932 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.708 0 N-CA-C 107.587 -1.736 . . . . 0.0 107.587 -179.447 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.942 0 O-C-N 128.101 3.376 . . . . 0.0 103.026 179.881 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.266 1.973 0 CA-C-O 115.979 -1.962 . . . . 0.0 108.827 -179.957 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.809 0 N-CA-C 104.1 -3.6 . . . . 0.0 104.1 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.257 1.497 0 CA-C-O 115.667 -2.111 . . . . 0.0 109.463 -177.91 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.72 0 N-CA-C 103.711 -2.7 . . . . 0.0 103.711 -178.909 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.058 0 O-C-N 127.766 3.166 . . . . 0.0 113.529 -176.581 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 106.329 -1.73 . . . . 0.0 106.329 -179.065 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.92 0 O-C-N 126.306 2.254 . . . . 0.0 107.665 -178.818 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 120.712 -1.464 . . . . 0.0 110.271 -178.282 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.295 0 N-CA-C 100.633 -3.84 . . . . 0.0 100.633 -177.895 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.307 0 CA-C-O 115.265 -2.056 . . . . 0.0 112.125 179.298 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.808 0 CA-C-N 120.673 1.579 . . . . 0.0 109.587 177.797 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.42 0 CA-C-N 112.814 -1.994 . . . . 0.0 110.618 178.311 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.432 -1.338 0 O-C-N 120.878 -1.139 . . . . 0.0 110.455 178.534 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.556 1.18 0 O-C-N 125.829 1.956 . . . . 0.0 110.296 -178.377 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.072 0 O-C-N 127.04 2.713 . . . . 0.0 107.085 178.926 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.598 0 CA-C-O 122.174 0.988 . . . . 0.0 112.91 177.876 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.889 0 O-C-N 117.485 -3.26 . . . . 0.0 114.551 179.714 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.819 0 O-C-N 125.657 1.848 . . . . 0.0 108.149 179.503 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.568 1 O-C-N 129.25 4.094 . . . . 0.0 109.78 179.181 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 120.031 -1.668 . . . . 0.0 111.831 179.118 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.506 0 C-N-CA 125.17 1.388 . . . . 0.0 112.765 178.753 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.034 0 C-N-CA 127.977 2.703 . . . . 0.0 114.338 -179.065 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.284 0 C-N-CA 128.265 2.626 . . . . 0.0 111.466 -178.475 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 C-N-CA 117.551 -1.66 . . . . 0.0 107.372 -179.977 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.067 0 CA-C-O 117.307 -1.33 . . . . 0.0 108.995 -179.886 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 N--CA 1.49 1.289 0 C-N-CA 122.874 2.383 . . . . 0.0 111.748 178.181 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.007 0 O-C-N 118.683 -2.51 . . . . 0.0 115.7 -177.086 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.038 0 C-N-CA 126.596 1.958 . . . . 0.0 110.933 -176.579 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.945 0 C-N-CA 123.421 2.747 . . . . 0.0 115.507 174.506 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.296 -1.717 0 CA-C-N 121.301 1.864 . . . . 0.0 113.412 178.03 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 124.91 1.284 . . . . 0.0 108.076 179.97 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.851 0 C-N-CA 119.075 -1.05 . . . . 0.0 109.745 179.105 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.611 -0.681 . . . . 0.0 109.291 179.121 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 114.216 -1.356 . . . . 0.0 109.763 179.833 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 119.56 1.073 . . . . 0.0 111.971 -178.015 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-O 117.166 -1.397 . . . . 0.0 111.893 -178.048 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 -178.925 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.473 0 CA-C-N 114.578 -1.192 . . . . 0.0 109.174 179.725 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-O 124.911 2.291 . . . . 0.0 109.441 178.368 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.041 0 CA-C-N 112.73 -2.032 . . . . 0.0 111.31 178.756 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 121.094 1.77 . . . . 0.0 112.748 179.864 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.297 0 CA-C-O 118.399 -0.81 . . . . 0.0 112.225 -176.267 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 O-C-N 124.132 0.895 . . . . 0.0 109.129 -179.287 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-O 115.194 -2.336 . . . . 0.0 110.892 -178.141 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.225 0 O-C-N 127.63 3.082 . . . . 0.0 111.068 178.974 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.79 0 C-N-CA 127.386 2.274 . . . . 0.0 113.79 -177.16 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 125.969 2.043 . . . . 0.0 112.202 -179.945 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.394 0 CA-C-N 121.322 1.874 . . . . 0.0 114.827 179.872 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.586 0 C-N-CA 124.724 1.21 . . . . 0.0 111.452 179.594 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 107.154 -1.425 . . . . 0.0 107.154 178.921 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 178.242 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 O-C-N 124.802 1.314 . . . . 0.0 110.041 -178.651 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 113.614 -1.63 . . . . 0.0 111.054 178.335 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.509 0 C-N-CA 127.13 2.172 . . . . 0.0 112.542 -178.526 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 113.697 -1.592 . . . . 0.0 111.978 179.751 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 116.792 -1.575 . . . . 0.0 111.713 -178.32 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 126.512 2.383 . . . . 0.0 107.563 178.905 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.437 -1.082 0 C-N-CA 126.428 1.891 . . . . 0.0 113.158 179.237 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.615 -179.182 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.191 0 O-C-N 124.434 1.084 . . . . 0.0 108.229 178.126 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-O 116.57 -1.681 . . . . 0.0 112.096 179.064 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.537 0 N-CA-C 115.891 1.812 . . . . 0.0 115.891 -179.732 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 O-C-N 124.431 1.082 . . . . 0.0 111.126 -177.95 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.129 0 O-C-N 125.475 1.734 . . . . 0.0 111.352 -178.674 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.107 0 C-N-CA 127.301 2.24 . . . . 0.0 107.419 179.177 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 500' ' ' MXT . . . . . 1.057 H122 ' HA ' ' A' ' 41' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 600' ' ' MXT . . . . . 0.727 H231 ' O11' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.798 ' O ' ' O11' ' A' ' 500' ' ' MXT . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 1.049 ' CA ' H122 ' A' ' 500' ' ' MXT . 5.7 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 1.049 ' H ' H121 ' A' ' 500' ' ' MXT . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.295 0 O-C-N 125.664 1.852 . . . . 0.0 106.871 168.808 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.771 1 O-C-N 129.22 4.274 . . . . 0.0 107.993 -174.952 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.293 -1.888 0 CA-C-N 120.997 1.726 . . . . 0.0 112.596 -178.103 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.19 0 CA-C-N 114.205 -1.361 . . . . 0.0 110.897 -178.19 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.209 0 C-N-CA 126.938 2.095 . . . . 0.0 110.246 -176.918 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.481 0 O-C-N 120.874 -1.141 . . . . 0.0 109.855 179.567 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.258 1.55 0 N-CA-C 105.889 -1.893 . . . . 0.0 105.889 -176.717 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 127.118 2.761 . . . . 0.0 107.845 -179.404 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.78 0 CA-C-O 115.463 -2.208 . . . . 0.0 106.445 -177.884 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 C--N 1.278 -2.536 1 O-C-N 130.647 4.967 . . . . 0.0 106.359 169.645 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.122 0 CA-C-O 113.728 -3.034 . . . . 0.0 105.901 -179.815 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.443 0 CA-C-N 121.166 1.803 . . . . 0.0 110.005 -177.724 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.768 0 O-C-N 125.889 1.993 . . . . 0.0 105.814 -176.631 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.381 0 O-C-N 127.464 2.977 . . . . 0.0 112.785 -176.352 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.95 0 O-C-N 127.241 2.838 . . . . 0.0 112.254 177.588 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 122.155 2.252 . . . . 0.0 111.905 -179.669 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--O 1.225 -0.212 0 O-C-N 126.626 2.454 . . . . 0.0 109.707 -174.936 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.728 0 C-N-CA 124.696 3.597 . . . . 0.0 111.912 179.749 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.828 0 CA-C-N 111.687 -2.506 . . . . 0.0 106.752 179.174 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.315 -1.209 0 O-C-N 127.495 3.366 . . . . 0.0 107.898 179.014 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.501 0 O-C-N 124.298 1.683 . . . . 0.0 108.301 178.874 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.584 0 O-C-N 127.061 2.725 . . . . 0.0 112.209 179.92 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.991 0 C-N-CA 126.767 2.027 . . . . 0.0 114.947 -174.512 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.699 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 175.031 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 124.885 1.365 . . . . 0.0 113.623 -175.743 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.414 0 CA-C-O 117.388 -1.291 . . . . 0.0 112.756 -179.398 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.315 0 CA-C-N 121.746 2.066 . . . . 0.0 114.952 179.593 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.488 0 C-N-CA 122.125 1.883 . . . . 0.0 113.304 178.092 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.889 0 C-N-CA 129.798 3.239 . . . . 0.0 112.251 178.899 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.055 0 O-C-N 119.452 -2.03 . . . . 0.0 109.487 178.02 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.337 0 CA-C-O 115.621 -2.133 . . . . 0.0 109.268 179.729 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 127.384 2.927 . . . . 0.0 109.391 179.551 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.231 0 O-C-N 120.312 -1.493 . . . . 0.0 112.906 177.205 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 122.054 0.93 . . . . 0.0 113.37 178.976 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.255 0 C-N-CA 126.533 1.933 . . . . 0.0 109.259 179.749 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.296 -1.744 0 O-C-N 125.079 1.487 . . . . 0.0 110.207 175.898 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.168 0 C-N-CA 127.075 2.15 . . . . 0.0 114.6 178.851 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.028 0 CA-C-O 117.087 -1.951 . . . . 0.0 112.35 178.439 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-N 118.117 0.959 . . . . 0.0 108.515 179.27 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 176.105 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.96 0 C-N-CA 123.937 0.895 . . . . 0.0 112.853 -179.51 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.47 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 -175.502 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.086 0 C-N-CA 125.037 1.335 . . . . 0.0 108.136 175.047 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 177.284 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.212 -0.908 0 CA-C-N 114.295 -1.321 . . . . 0.0 110.084 -179.91 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-O 115.944 -1.979 . . . . 0.0 112.322 178.81 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.571 0 C-N-CA 126.823 2.049 . . . . 0.0 116.531 -174.869 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.61 0 CA-C-O 122.765 1.269 . . . . 0.0 112.284 -178.934 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.448 -1.183 0 C-N-CA 122.365 2.044 . . . . 0.0 115.142 -179.554 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 177.662 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.433 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 178.332 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.114 0 O-C-N 118.333 -2.729 . . . . 0.0 114.634 -179.084 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.326 0 N-CA-C 115.941 1.83 . . . . 0.0 115.941 179.728 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.048 0 CA-C-N 120.247 1.124 . . . . 0.0 114.843 -179.603 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.303 1.041 . . . . 0.0 112.004 179.92 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 O-C-N 125.04 1.463 . . . . 0.0 111.478 -179.731 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.253 1.283 0 N-CA-C 116.885 2.179 . . . . 0.0 116.885 179.134 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 127.636 2.374 . . . . 0.0 115.56 -178.031 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.821 0 N-CA-C 117.134 2.272 . . . . 0.0 117.134 -178.569 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.09 0 CA-C-O 115.697 -2.724 . . . . 0.0 118.904 177.669 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.951 0 CA-C-N 124.184 3.992 . . . . 0.0 111.34 179.72 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-O 115.669 -2.11 . . . . 0.0 106.265 177.478 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.518 0 O-C-N 125.49 1.744 . . . . 0.0 107.6 -178.937 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.461 0 O-C-N 125.749 1.905 . . . . 0.0 111.549 -179.674 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-O 122.146 0.974 . . . . 0.0 110.714 179.449 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.248 1.021 0 N-CA-C 106.745 -1.576 . . . . 0.0 106.745 -179.886 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 1.98 0 O-C-N 126.064 2.103 . . . . 0.0 116.197 -179.785 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.789 0 CA-C-O 117.912 -1.042 . . . . 0.0 112.549 -178.228 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 1.972 0 N-CA-C 107.828 -2.109 . . . . 0.0 107.828 -178.398 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 125.382 2.515 . . . . 0.0 112.691 -177.861 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.845 0 CA-C-N 110.906 -2.861 . . . . 0.0 110.436 179.196 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -0.995 0 O-C-N 126.354 2.284 . . . . 0.0 105.413 176.631 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.373 0 N-CA-C 117.816 2.524 . . . . 0.0 117.816 -176.569 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 108.539 -0.912 . . . . 0.0 108.539 178.852 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 103.822 -2.658 . . . . 0.0 103.822 177.068 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 CA-C-N 111.997 -2.365 . . . . 0.0 108.0 -179.304 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.305 0 N-CA-C 118.534 2.174 . . . . 0.0 118.534 -178.245 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.71 0 O-C-N 121.487 -1.008 . . . . 0.0 112.29 -179.694 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.636 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -177.166 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-O 124.243 1.973 . . . . 0.0 110.031 -179.786 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.901 0 CA-C-N 113.379 -1.737 . . . . 0.0 108.335 -178.358 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 C--N 1.318 -0.467 0 CA-C-N 114.095 -1.411 . . . . 0.0 110.171 179.274 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 124.813 0.949 . . . . 0.0 110.008 179.933 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.986 0 CA-C-N 114.339 -1.3 . . . . 0.0 109.345 179.313 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.215 0 O-C-N 124.577 1.173 . . . . 0.0 110.206 178.885 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.815 0 N-CA-C 119.048 2.379 . . . . 0.0 119.048 -179.687 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.214 -0.812 0 O-C-N 120.873 -1.369 . . . . 0.0 109.104 179.49 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 178.622 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.897 0 O-C-N 125.701 1.875 . . . . 0.0 110.262 179.138 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.293 0.568 . . . . 0.0 111.855 -179.158 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 115.698 -2.096 . . . . 0.0 108.802 -177.888 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.908 0 O-C-N 127.271 2.857 . . . . 0.0 110.383 178.666 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 117.712 -1.137 . . . . 0.0 109.616 -179.743 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 O-C-N 128.105 3.378 . . . . 0.0 112.803 -177.724 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.242 0 O-C-N 125.104 1.503 . . . . 0.0 111.743 -178.069 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 123.903 0.881 . . . . 0.0 110.189 178.272 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.292 -1.932 0 N-CA-C 118.044 2.609 . . . . 0.0 118.044 175.716 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.311 -1.074 0 C-N-CA 124.144 0.977 . . . . 0.0 109.069 177.495 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 127.417 2.948 . . . . 0.0 111.376 -177.965 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.391 0 C-N-CA 130.002 3.321 . . . . 0.0 109.004 178.317 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.246 0.914 0 O-C-N 126.735 2.522 . . . . 0.0 113.769 -178.094 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 115.272 1.582 . . . . 0.0 115.272 -178.415 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 124.756 1.285 . . . . 0.0 109.937 178.508 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 124.045 0.938 . . . . 0.0 109.207 178.994 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 123.484 0.714 . . . . 0.0 112.709 -178.481 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.307 -1.239 0 CA-C-O 117.017 -1.468 . . . . 0.0 111.028 -177.84 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 CA-C-O 116.796 -1.573 . . . . 0.0 110.708 -176.968 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-N 119.551 1.069 . . . . 0.0 112.843 -178.902 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 124.93 1.292 . . . . 0.0 111.686 -178.456 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 125.051 1.47 . . . . 0.0 108.302 -179.577 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 126.57 2.419 . . . . 0.0 111.624 -178.969 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 0.991 0 C-N-CA 120.203 -0.599 . . . . 0.0 110.476 177.581 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 114.322 1.23 . . . . 0.0 114.322 -177.706 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.536 0 C-N-CA 125.634 1.573 . . . . 0.0 111.269 177.371 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.466 0.644 0 O-C-N 121.322 -0.861 . . . . 0.0 114.237 -179.451 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.614 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 179.213 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 119.809 -1.807 . . . . 0.0 109.691 -179.365 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.921 0 N-CA-C 116.337 1.977 . . . . 0.0 116.337 -176.956 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 125.264 1.603 . . . . 0.0 110.319 -176.641 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 112.556 -2.111 . . . . 0.0 108.333 176.068 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 N-CA-C 104.518 -2.401 . . . . 0.0 104.518 178.458 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 125.417 1.698 . . . . 0.0 108.272 -177.674 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.279 0 O-C-N 125.896 1.998 . . . . 0.0 110.955 -175.555 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.474 -2.48 0 O-C-N 126.277 2.725 . . . . 0.0 115.003 -176.48 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.259 1.553 0 O-C-N 120.416 -1.428 . . . . 0.0 113.82 177.672 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.347 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 -176.958 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.264 1.827 0 CA-C-O 115.058 -2.401 . . . . 0.0 112.767 -178.712 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.638 0 CA-C-N 120.959 1.709 . . . . 0.0 114.821 -177.962 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.04 0 C-N-CA 127.024 2.13 . . . . 0.0 111.217 -179.583 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 O-C-N 126.223 2.202 . . . . 0.0 110.482 -179.719 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 125.368 1.467 . . . . 0.0 107.06 177.874 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.263 1.765 0 C-N-CA 126.624 1.969 . . . . 0.0 112.584 179.03 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.252 1.187 0 CA-C-N 113.221 -1.809 . . . . 0.0 111.446 -177.702 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.126 0 C-N-CA 123.843 0.857 . . . . 0.0 113.15 -179.127 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 104.169 -2.53 . . . . 0.0 104.169 177.437 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 104.788 -2.301 . . . . 0.0 104.788 178.687 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 128.465 3.603 . . . . 0.0 116.974 -175.649 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.32 0 N-CA-C 105.334 -3.106 . . . . 0.0 105.334 177.097 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.368 0 O-C-N 128.51 3.123 . . . . 0.0 106.538 179.788 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.244 0.811 0 C-N-CA 118.946 -1.102 . . . . 0.0 112.704 -177.624 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.74 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 177.555 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.244 0.807 0 CA-C-O 122.408 1.099 . . . . 0.0 108.101 176.427 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.308 0 C-N-CA 121.493 1.462 . . . . 0.0 111.884 -179.719 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 177.043 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 105.369 -2.086 . . . . 0.0 105.369 177.481 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 122.76 1.267 . . . . 0.0 110.106 -176.9 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.178 0 CA-C-N 112.679 -2.055 . . . . 0.0 112.728 176.922 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.211 0 CA-C-N 118.194 0.997 . . . . 0.0 110.763 179.628 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.959 0 O-C-N 123.504 1.265 . . . . 0.0 111.676 178.307 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.033 0 N-CA-C 103.192 -2.892 . . . . 0.0 103.192 179.59 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.349 0 O-C-N 126.853 2.596 . . . . 0.0 112.265 -179.53 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.44 -1.665 0 N-CA-C 107.617 -1.724 . . . . 0.0 107.617 -179.651 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.956 0 O-C-N 128.117 3.386 . . . . 0.0 103.06 179.064 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.266 1.966 0 CA-C-O 115.949 -1.977 . . . . 0.0 108.863 179.176 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 C--N 1.293 -1.831 0 N-CA-C 104.11 -3.596 . . . . 0.0 104.11 -179.411 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.525 0 CA-C-O 115.664 -2.112 . . . . 0.0 109.478 -177.091 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.742 0 N-CA-C 103.715 -2.698 . . . . 0.0 103.715 -179.988 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.071 0 O-C-N 127.766 3.166 . . . . 0.0 113.536 -179.079 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 106.327 -1.731 . . . . 0.0 106.327 -177.398 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.915 0 N-CA-C 107.589 -2.204 . . . . 0.0 107.589 -179.518 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 118.796 -2.591 . . . . 0.0 110.271 -177.526 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--N 1.403 2.935 0 N-CA-C 100.624 -3.843 . . . . 0.0 100.624 174.429 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.296 0 CA-C-O 115.206 -2.081 . . . . 0.0 112.104 -178.871 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.817 0 CA-C-N 120.708 1.595 . . . . 0.0 109.552 177.764 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.276 2.458 0 CA-C-N 112.877 -1.965 . . . . 0.0 110.586 178.329 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.293 0 O-C-N 120.925 -1.11 . . . . 0.0 110.444 178.551 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.161 0 O-C-N 125.809 1.943 . . . . 0.0 110.256 -178.383 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.077 0 O-C-N 126.991 2.682 . . . . 0.0 107.107 178.932 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.62 0 CA-C-O 122.191 0.996 . . . . 0.0 112.902 177.894 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.906 0 O-C-N 117.485 -3.259 . . . . 0.0 114.589 179.692 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.571 1.78 0 O-C-N 125.613 1.821 . . . . 0.0 108.157 179.483 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.584 1 O-C-N 129.241 4.088 . . . . 0.0 109.76 179.17 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 119.989 -1.694 . . . . 0.0 111.828 179.087 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.521 0 C-N-CA 125.11 1.364 . . . . 0.0 112.814 178.733 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.034 0 C-N-CA 128.06 2.743 . . . . 0.0 114.284 176.726 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.249 0 C-N-CA 128.255 2.622 . . . . 0.0 111.508 -179.294 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 C-N-CA 117.575 -1.65 . . . . 0.0 107.405 179.149 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.107 0 CA-C-O 117.298 -1.334 . . . . 0.0 109.02 177.444 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.327 0 C-N-CA 122.855 2.37 . . . . 0.0 111.747 176.411 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.0 0 O-C-N 118.638 -2.539 . . . . 0.0 115.691 -179.724 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.037 0 C-N-CA 126.626 1.97 . . . . 0.0 110.937 177.746 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.937 0 C-N-CA 123.44 2.76 . . . . 0.0 115.535 177.939 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-N 121.258 1.845 . . . . 0.0 113.482 177.996 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 124.969 1.307 . . . . 0.0 108.029 179.989 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.246 0.874 0 C-N-CA 119.048 -1.061 . . . . 0.0 109.746 179.09 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.533 -0.729 . . . . 0.0 109.29 179.088 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 114.234 -1.348 . . . . 0.0 109.729 179.841 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-N 119.585 1.084 . . . . 0.0 111.919 -177.914 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-O 117.053 -1.451 . . . . 0.0 111.829 -178.012 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 115.08 1.511 . . . . 0.0 115.08 -178.96 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.461 0 CA-C-N 114.542 -1.208 . . . . 0.0 109.138 179.746 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-O 124.835 2.255 . . . . 0.0 109.418 178.343 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.497 -1.065 0 CA-C-N 112.754 -2.021 . . . . 0.0 111.32 178.76 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.724 0 CA-C-N 121.132 1.787 . . . . 0.0 112.77 179.828 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.253 1.282 0 CA-C-O 118.459 -0.781 . . . . 0.0 112.268 -176.261 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 O-C-N 124.086 0.866 . . . . 0.0 109.104 -179.36 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-O 115.201 -2.333 . . . . 0.0 110.884 -178.155 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.229 0 O-C-N 127.591 3.057 . . . . 0.0 111.021 179.007 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.294 -1.805 0 C-N-CA 127.409 2.284 . . . . 0.0 113.795 -177.17 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 125.949 2.031 . . . . 0.0 112.25 -179.961 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.378 0 CA-C-N 121.278 1.854 . . . . 0.0 114.825 179.913 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.586 0 C-N-CA 124.851 1.261 . . . . 0.0 111.368 179.587 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 107.132 -1.432 . . . . 0.0 107.132 178.957 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 178.223 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 O-C-N 124.856 1.347 . . . . 0.0 110.034 -178.699 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.368 0 CA-C-N 113.673 -1.603 . . . . 0.0 111.031 178.367 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.3 -1.549 0 C-N-CA 127.119 2.168 . . . . 0.0 112.551 -178.578 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 113.725 -1.579 . . . . 0.0 112.003 179.737 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-O 116.704 -1.617 . . . . 0.0 111.662 -178.298 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 126.548 2.405 . . . . 0.0 107.543 178.911 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.06 0 C-N-CA 126.458 1.903 . . . . 0.0 113.127 179.247 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.642 -179.183 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.178 0 O-C-N 124.466 1.104 . . . . 0.0 108.239 178.147 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 116.58 -1.676 . . . . 0.0 112.102 179.015 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.257 1.498 0 N-CA-C 115.879 1.807 . . . . 0.0 115.879 -179.697 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 O-C-N 124.495 1.122 . . . . 0.0 111.134 -177.955 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.136 0 O-C-N 125.477 1.735 . . . . 0.0 111.348 -178.693 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.099 0 C-N-CA 127.236 2.214 . . . . 0.0 107.418 179.13 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 500' ' ' MXT . . . . . 1.049 H121 ' H ' ' A' ' 42' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 600' ' ' MXT . . . . . 0.863 H231 ' O11' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.619 ' HA ' H121 ' A' ' 500' ' ' MXT . 21.0 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.306 0 O-C-N 125.664 1.852 . . . . 0.0 106.864 170.238 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.713 1 O-C-N 129.197 4.262 . . . . 0.0 107.998 -176.038 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.91 0 CA-C-N 121.048 1.749 . . . . 0.0 112.636 -177.959 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.22 0 CA-C-N 114.232 -1.349 . . . . 0.0 110.896 -176.67 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.175 0 C-N-CA 126.995 2.118 . . . . 0.0 110.255 -176.511 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.46 0 O-C-N 120.878 -1.139 . . . . 0.0 109.872 179.44 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.577 0 N-CA-C 105.92 -1.881 . . . . 0.0 105.92 -177.824 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 127.075 2.734 . . . . 0.0 107.821 178.52 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.758 0 CA-C-O 115.484 -2.198 . . . . 0.0 106.436 178.038 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.539 1 O-C-N 130.695 4.997 . . . . 0.0 106.327 177.375 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.119 0 CA-C-O 113.737 -3.03 . . . . 0.0 105.836 -179.772 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.437 0 CA-C-N 121.143 1.792 . . . . 0.0 110.033 -177.774 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.798 0 O-C-N 125.88 1.988 . . . . 0.0 105.758 -176.605 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.36 0 O-C-N 127.481 2.988 . . . . 0.0 112.717 -176.358 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.954 0 O-C-N 127.225 2.828 . . . . 0.0 112.268 177.647 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.314 -0.938 0 O-C-N 119.066 -2.271 . . . . 0.0 111.9 -179.671 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--O 1.225 -0.199 0 O-C-N 126.62 2.45 . . . . 0.0 109.747 -174.879 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--O 1.242 0.713 0 C-N-CA 124.649 3.566 . . . . 0.0 111.942 179.797 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.849 0 CA-C-N 111.728 -2.487 . . . . 0.0 106.78 179.121 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.258 0 O-C-N 127.551 3.395 . . . . 0.0 107.922 179.0 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.507 0 CA-C-O 116.164 -1.682 . . . . 0.0 108.319 178.91 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.614 0 O-C-N 127.079 2.737 . . . . 0.0 112.186 179.955 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.291 -1.95 0 C-N-CA 126.779 2.032 . . . . 0.0 114.899 -174.447 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.706 0 N-CA-C 107.721 -1.215 . . . . 0.0 107.721 174.993 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 124.877 1.36 . . . . 0.0 113.611 -175.778 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.42 0 CA-C-O 117.398 -1.287 . . . . 0.0 112.763 -179.4 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.333 0 CA-C-N 121.769 2.077 . . . . 0.0 114.974 179.581 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.176 1.918 . . . . 0.0 113.33 178.054 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.901 0 C-N-CA 129.797 3.239 . . . . 0.0 112.255 178.896 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.058 0 O-C-N 119.456 -2.028 . . . . 0.0 109.557 177.98 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.364 0 CA-C-O 115.532 -2.175 . . . . 0.0 109.184 179.763 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 127.447 2.967 . . . . 0.0 109.39 179.591 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.253 1.245 0 O-C-N 120.277 -1.514 . . . . 0.0 112.877 177.228 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-O 122.038 0.923 . . . . 0.0 113.34 178.997 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.254 0 C-N-CA 126.477 1.911 . . . . 0.0 109.229 179.776 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 125.102 1.501 . . . . 0.0 110.257 175.899 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.269 2.111 0 C-N-CA 127.048 2.139 . . . . 0.0 114.57 178.887 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.013 0 CA-C-O 117.091 -1.949 . . . . 0.0 112.378 178.488 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-N 118.086 0.943 . . . . 0.0 108.486 179.265 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 176.01 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.939 0 C-N-CA 123.939 0.896 . . . . 0.0 112.871 -179.518 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.456 0 N-CA-C 114.957 1.466 . . . . 0.0 114.957 -175.515 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.102 0 C-N-CA 125.026 1.331 . . . . 0.0 108.123 175.047 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 177.259 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.973 0 CA-C-N 114.31 -1.313 . . . . 0.0 110.055 -179.882 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-O 115.97 -1.967 . . . . 0.0 112.328 178.776 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.276 -2.591 0 N-CA-C 116.579 2.066 . . . . 0.0 116.579 -174.861 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.585 0 CA-C-O 122.716 1.246 . . . . 0.0 112.314 -178.945 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 122.358 2.039 . . . . 0.0 115.094 -179.524 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 177.672 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.429 0 N-CA-C 115.174 1.546 . . . . 0.0 115.174 178.335 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.118 0 O-C-N 118.301 -2.75 . . . . 0.0 114.614 -179.062 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.253 1.265 0 N-CA-C 116.015 1.857 . . . . 0.0 116.015 179.684 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.064 0 CA-C-N 120.244 1.123 . . . . 0.0 114.856 -179.652 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.357 1.063 . . . . 0.0 112.038 179.847 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 O-C-N 125.021 1.451 . . . . 0.0 111.474 -179.73 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.255 1.352 0 N-CA-C 116.904 2.187 . . . . 0.0 116.904 179.1 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 127.688 2.395 . . . . 0.0 115.581 -178.116 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.851 0 N-CA-C 117.112 2.264 . . . . 0.0 117.112 -178.524 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.482 -2.007 0 CA-C-O 115.687 -2.729 . . . . 0.0 118.827 177.679 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.29 -1.986 0 CA-C-N 124.164 3.982 . . . . 0.0 111.368 179.719 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-O 115.598 -2.144 . . . . 0.0 106.285 177.535 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.527 0 O-C-N 125.5 1.75 . . . . 0.0 107.675 -178.997 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.477 0 O-C-N 125.782 1.926 . . . . 0.0 111.443 -179.648 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-O 122.087 0.946 . . . . 0.0 110.746 179.392 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.248 1.021 0 N-CA-C 106.71 -1.589 . . . . 0.0 106.71 -179.871 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 1.975 0 O-C-N 126.077 2.111 . . . . 0.0 116.158 -179.792 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.262 1.763 0 CA-C-O 117.936 -1.031 . . . . 0.0 112.59 -178.251 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 1.991 0 N-CA-C 107.808 -2.117 . . . . 0.0 107.808 -178.436 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 125.293 2.473 . . . . 0.0 112.691 -177.807 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.84 0 CA-C-N 110.915 -2.857 . . . . 0.0 110.409 179.212 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.314 -0.951 0 O-C-N 126.369 2.293 . . . . 0.0 105.4 176.637 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.362 0 N-CA-C 117.81 2.522 . . . . 0.0 117.81 -176.549 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 178.824 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 103.813 -2.662 . . . . 0.0 103.813 177.096 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 CA-C-N 111.988 -2.369 . . . . 0.0 107.993 -179.29 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.327 0 N-CA-C 118.575 2.19 . . . . 0.0 118.575 -178.234 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.685 0 O-C-N 121.438 -1.037 . . . . 0.0 112.219 -179.631 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.628 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -177.171 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.839 0 CA-C-O 124.252 1.977 . . . . 0.0 110.063 -179.796 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-N 113.436 -1.711 . . . . 0.0 108.397 -178.385 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.463 0.463 0 CA-C-N 114.048 -1.433 . . . . 0.0 110.19 179.271 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 124.803 0.943 . . . . 0.0 110.04 179.882 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.987 0 CA-C-N 114.369 -1.287 . . . . 0.0 109.353 179.322 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.224 0 O-C-N 124.5 1.125 . . . . 0.0 110.149 178.885 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.841 0 N-CA-C 119.073 2.389 . . . . 0.0 119.073 -179.627 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.817 0 O-C-N 120.912 -1.346 . . . . 0.0 109.101 179.481 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 107.127 -1.435 . . . . 0.0 107.127 178.582 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.874 0 O-C-N 125.763 1.914 . . . . 0.0 110.245 179.15 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.329 0.585 . . . . 0.0 111.845 -179.145 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 115.683 -2.103 . . . . 0.0 108.784 -177.879 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.927 0 O-C-N 127.295 2.872 . . . . 0.0 110.352 178.708 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 117.654 -1.165 . . . . 0.0 109.588 -179.685 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 O-C-N 128.168 3.418 . . . . 0.0 112.838 -177.727 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.283 0 O-C-N 125.151 1.532 . . . . 0.0 111.759 -178.104 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 123.87 0.868 . . . . 0.0 110.216 178.223 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.941 0 N-CA-C 118.075 2.621 . . . . 0.0 118.075 175.721 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.311 -1.068 0 C-N-CA 124.075 0.95 . . . . 0.0 109.111 177.501 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 127.371 2.919 . . . . 0.0 111.398 -177.941 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.408 0 C-N-CA 129.972 3.309 . . . . 0.0 108.942 178.363 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.941 0 O-C-N 126.779 2.549 . . . . 0.0 113.807 -178.168 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 115.276 1.584 . . . . 0.0 115.276 -178.428 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 124.751 1.282 . . . . 0.0 109.911 178.559 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.303 -1.431 0 C-N-CA 124.014 0.925 . . . . 0.0 109.168 179.022 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.884 0 C-N-CA 123.46 0.704 . . . . 0.0 112.715 -178.494 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.307 -1.261 0 CA-C-O 116.993 -1.48 . . . . 0.0 110.964 -177.806 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.632 0 CA-C-O 116.744 -1.598 . . . . 0.0 110.696 -176.975 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.136 0 CA-C-N 119.569 1.077 . . . . 0.0 112.844 -178.84 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 124.955 1.302 . . . . 0.0 111.711 -178.522 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 125.044 1.465 . . . . 0.0 108.282 -179.563 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 126.563 2.414 . . . . 0.0 111.622 -178.944 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.022 0 C-N-CA 120.231 -0.587 . . . . 0.0 110.498 177.575 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.717 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 -177.714 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.528 0 C-N-CA 125.605 1.562 . . . . 0.0 111.211 177.374 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.466 0.672 0 O-C-N 121.345 -0.847 . . . . 0.0 114.256 -179.473 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.51 -0.593 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 179.259 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 119.844 -1.785 . . . . 0.0 109.651 -179.328 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.895 0 N-CA-C 116.348 1.981 . . . . 0.0 116.348 -176.952 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 125.274 1.609 . . . . 0.0 110.28 -176.577 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 112.535 -2.121 . . . . 0.0 108.318 176.01 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 N-CA-C 104.509 -2.404 . . . . 0.0 104.509 178.527 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 125.406 1.691 . . . . 0.0 108.267 -177.69 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.304 0 O-C-N 125.898 1.999 . . . . 0.0 110.971 -175.506 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.474 -2.495 0 O-C-N 126.344 2.76 . . . . 0.0 115.053 -176.516 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.541 0 O-C-N 120.369 -1.457 . . . . 0.0 113.775 177.714 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.256 1.405 0 N-CA-C 115.61 1.707 . . . . 0.0 115.61 -176.995 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--N 1.294 -1.832 0 CA-C-O 115.089 -2.386 . . . . 0.0 112.776 -178.719 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.259 1.595 0 CA-C-N 120.947 1.703 . . . . 0.0 114.825 -178.035 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.311 -1.075 0 C-N-CA 127.049 2.14 . . . . 0.0 111.154 -179.494 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 O-C-N 126.213 2.195 . . . . 0.0 110.457 -179.73 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 177.896 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.748 0 C-N-CA 126.631 1.972 . . . . 0.0 112.579 179.027 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.15 0 CA-C-N 113.21 -1.814 . . . . 0.0 111.423 -177.706 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.133 0 C-N-CA 123.817 0.847 . . . . 0.0 113.149 -179.112 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 104.169 -2.53 . . . . 0.0 104.169 177.436 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.305 -1.37 0 N-CA-C 104.812 -2.292 . . . . 0.0 104.812 178.672 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 128.548 3.655 . . . . 0.0 116.95 -175.6 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.317 0 N-CA-C 105.313 -3.115 . . . . 0.0 105.313 177.125 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.367 0 O-C-N 128.459 3.094 . . . . 0.0 106.538 179.79 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.244 0.795 0 C-N-CA 118.934 -1.107 . . . . 0.0 112.642 -177.566 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.726 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 177.527 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.244 0.789 0 CA-C-O 122.448 1.118 . . . . 0.0 108.042 176.45 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.279 0 C-N-CA 121.492 1.462 . . . . 0.0 111.849 -179.727 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 177.041 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 105.374 -2.084 . . . . 0.0 105.374 177.471 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 122.809 1.29 . . . . 0.0 110.054 -176.911 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.25 1.126 0 CA-C-N 112.695 -2.048 . . . . 0.0 112.791 179.69 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.309 -1.192 0 CA-C-N 118.158 0.979 . . . . 0.0 110.721 179.805 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.924 0 O-C-N 123.497 1.262 . . . . 0.0 111.643 177.349 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 178.496 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.306 -1.32 0 O-C-N 126.863 2.602 . . . . 0.0 112.196 -178.557 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.681 0 N-CA-C 107.523 -1.76 . . . . 0.0 107.523 179.742 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.29 -1.984 0 O-C-N 128.117 3.386 . . . . 0.0 103.015 -179.832 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.266 1.969 0 CA-C-O 116.026 -1.94 . . . . 0.0 108.807 178.784 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.805 0 N-CA-C 104.088 -3.605 . . . . 0.0 104.088 -178.252 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.526 0 CA-C-O 115.659 -2.115 . . . . 0.0 109.481 -173.521 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.712 0 N-CA-C 103.7 -2.704 . . . . 0.0 103.7 179.733 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.09 0 O-C-N 127.759 3.162 . . . . 0.0 113.531 179.921 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 106.325 -1.732 . . . . 0.0 106.325 -178.829 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.931 0 O-C-N 126.286 2.241 . . . . 0.0 107.667 -178.901 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 120.064 -1.845 . . . . 0.0 110.271 -178.651 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.337 0 N-CA-C 100.616 -3.846 . . . . 0.0 100.616 -176.838 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.282 0 CA-C-O 115.245 -2.065 . . . . 0.0 112.136 178.221 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.81 0 CA-C-N 120.685 1.584 . . . . 0.0 109.594 177.772 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.398 0 CA-C-N 112.831 -1.986 . . . . 0.0 110.598 178.305 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.304 0 O-C-N 120.881 -1.137 . . . . 0.0 110.396 178.583 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.556 1.184 0 O-C-N 125.798 1.936 . . . . 0.0 110.258 -178.351 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.098 0 O-C-N 127.071 2.732 . . . . 0.0 107.05 178.979 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.6 0 CA-C-O 122.162 0.982 . . . . 0.0 112.936 177.882 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.887 0 O-C-N 117.502 -3.249 . . . . 0.0 114.562 179.682 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.811 0 O-C-N 125.581 1.801 . . . . 0.0 108.141 179.477 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.584 1 O-C-N 129.236 4.085 . . . . 0.0 109.781 179.188 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 120.042 -1.661 . . . . 0.0 111.878 179.025 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.506 0 C-N-CA 125.128 1.371 . . . . 0.0 112.742 178.749 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.06 0 C-N-CA 127.999 2.714 . . . . 0.0 114.306 -179.099 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.273 2.319 0 C-N-CA 128.282 2.633 . . . . 0.0 111.528 -178.049 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 C-N-CA 117.609 -1.636 . . . . 0.0 107.379 179.843 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.081 0 CA-C-O 117.286 -1.34 . . . . 0.0 108.984 179.093 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.298 0 C-N-CA 122.889 2.392 . . . . 0.0 111.771 179.579 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.002 0 O-C-N 118.648 -2.533 . . . . 0.0 115.681 -176.767 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.045 0 C-N-CA 126.582 1.953 . . . . 0.0 110.91 -179.778 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.936 0 C-N-CA 123.418 2.745 . . . . 0.0 115.524 179.116 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.298 -1.67 0 CA-C-N 121.293 1.86 . . . . 0.0 113.405 178.025 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 124.943 1.297 . . . . 0.0 108.069 179.996 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.83 0 C-N-CA 119.062 -1.055 . . . . 0.0 109.78 179.085 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.643 -0.661 . . . . 0.0 109.32 179.062 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 114.206 -1.361 . . . . 0.0 109.767 179.832 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-N 119.562 1.074 . . . . 0.0 111.938 -177.988 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-O 117.073 -1.441 . . . . 0.0 111.844 -178.016 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 115.078 1.511 . . . . 0.0 115.078 -178.921 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.478 0 CA-C-N 114.599 -1.182 . . . . 0.0 109.175 179.69 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-O 124.876 2.275 . . . . 0.0 109.413 178.341 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.02 0 CA-C-N 112.733 -2.031 . . . . 0.0 111.278 178.812 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-N 121.145 1.793 . . . . 0.0 112.724 179.857 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.309 0 CA-C-O 118.5 -0.762 . . . . 0.0 112.337 -176.314 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 O-C-N 124.053 0.845 . . . . 0.0 109.117 -179.353 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-O 115.168 -2.349 . . . . 0.0 110.908 -178.134 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.307 -1.243 0 O-C-N 127.64 3.088 . . . . 0.0 110.973 179.013 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.294 -1.81 0 C-N-CA 127.391 2.276 . . . . 0.0 113.778 -177.154 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 125.939 2.024 . . . . 0.0 112.153 -179.882 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.255 1.426 0 CA-C-N 121.324 1.875 . . . . 0.0 114.824 179.865 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.581 0 C-N-CA 124.792 1.237 . . . . 0.0 111.422 179.605 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 178.962 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 178.216 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 O-C-N 124.806 1.316 . . . . 0.0 109.982 -178.654 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-N 113.667 -1.606 . . . . 0.0 111.005 178.382 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 127.143 2.177 . . . . 0.0 112.54 -178.519 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 113.691 -1.595 . . . . 0.0 111.946 179.783 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-O 116.741 -1.6 . . . . 0.0 111.671 -178.299 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 126.509 2.38 . . . . 0.0 107.523 178.885 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.041 0 C-N-CA 126.348 1.859 . . . . 0.0 113.17 179.266 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.609 -179.183 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.181 0 O-C-N 124.424 1.078 . . . . 0.0 108.201 178.149 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-O 116.575 -1.679 . . . . 0.0 112.137 179.038 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.507 0 N-CA-C 115.871 1.804 . . . . 0.0 115.871 -179.737 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 O-C-N 124.449 1.093 . . . . 0.0 111.126 -177.904 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.149 0 O-C-N 125.473 1.733 . . . . 0.0 111.33 -178.667 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.095 0 C-N-CA 127.284 2.234 . . . . 0.0 107.469 179.087 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 500' ' ' MXT . . . . . 0.9 H231 ' O11' ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 600' ' ' MXT . . . . . 0.878 H231 ' O11' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.788 ' O ' ' C14' ' A' ' 500' ' ' MXT . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.978 ' C ' H121 ' A' ' 500' ' ' MXT . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 1.137 ' N ' ' C12' ' A' ' 500' ' ' MXT . 10.2 t -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.296 0 O-C-N 125.664 1.852 . . . . 0.0 106.896 166.24 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.692 1 O-C-N 129.178 4.252 . . . . 0.0 108.001 -173.75 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.935 0 CA-C-N 121.088 1.767 . . . . 0.0 112.633 -178.085 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.502 2.154 0 CA-C-N 114.21 -1.359 . . . . 0.0 110.92 -176.123 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.174 0 C-N-CA 126.945 2.098 . . . . 0.0 110.214 -177.487 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.256 1.442 0 O-C-N 120.856 -1.152 . . . . 0.0 109.856 178.348 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.58 0 N-CA-C 105.952 -1.87 . . . . 0.0 105.952 -177.243 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 127.069 2.731 . . . . 0.0 107.839 178.0 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.778 0 CA-C-O 115.479 -2.201 . . . . 0.0 106.417 179.774 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.552 1 O-C-N 130.662 4.976 . . . . 0.0 106.31 173.238 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.147 0 CA-C-O 113.766 -3.016 . . . . 0.0 105.872 -179.845 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.472 0 CA-C-N 121.08 1.763 . . . . 0.0 109.996 -177.776 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.795 0 O-C-N 125.881 1.988 . . . . 0.0 105.741 -176.558 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.366 0 O-C-N 127.497 2.998 . . . . 0.0 112.777 -176.381 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.267 1.985 0 O-C-N 127.246 2.841 . . . . 0.0 112.268 177.659 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.93 0 O-C-N 119.048 -2.282 . . . . 0.0 111.91 -179.713 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.331 -0.216 0 O-C-N 126.668 2.48 . . . . 0.0 109.694 -174.877 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--O 1.242 0.684 0 C-N-CA 124.65 3.566 . . . . 0.0 111.926 179.744 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.475 0.817 0 CA-C-N 111.766 -2.47 . . . . 0.0 106.772 179.148 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.238 0 O-C-N 127.449 3.342 . . . . 0.0 107.931 178.977 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.329 -0.473 0 C-N-CA 121.843 1.696 . . . . 0.0 108.269 178.928 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.605 0 O-C-N 127.089 2.743 . . . . 0.0 112.126 179.968 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -2.008 0 C-N-CA 126.75 2.02 . . . . 0.0 114.898 -174.465 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.698 0 N-CA-C 107.718 -1.215 . . . . 0.0 107.718 174.996 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.3 0 O-C-N 124.91 1.381 . . . . 0.0 113.668 -175.795 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.432 0 CA-C-O 117.364 -1.303 . . . . 0.0 112.764 -179.418 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.311 0 CA-C-N 121.75 2.068 . . . . 0.0 114.983 179.601 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.475 0 C-N-CA 122.149 1.9 . . . . 0.0 113.281 178.081 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.293 -1.889 0 C-N-CA 129.795 3.238 . . . . 0.0 112.242 178.941 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.051 0 O-C-N 119.487 -2.008 . . . . 0.0 109.498 177.999 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.559 1.323 0 CA-C-O 115.535 -2.174 . . . . 0.0 109.21 179.734 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 127.417 2.948 . . . . 0.0 109.389 179.606 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.253 1.253 0 O-C-N 120.287 -1.508 . . . . 0.0 112.9 177.142 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 122.054 0.93 . . . . 0.0 113.322 179.046 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.264 0 C-N-CA 126.487 1.915 . . . . 0.0 109.286 179.711 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 125.088 1.492 . . . . 0.0 110.262 175.869 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.182 0 C-N-CA 127.071 2.149 . . . . 0.0 114.622 178.793 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.545 1.965 0 CA-C-O 117.076 -1.958 . . . . 0.0 112.364 178.498 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-N 118.175 0.988 . . . . 0.0 108.525 179.285 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 107.251 -1.388 . . . . 0.0 107.251 176.03 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.248 0.99 0 C-N-CA 123.884 0.874 . . . . 0.0 112.843 -179.456 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.486 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -175.519 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.31 -1.13 0 C-N-CA 125.003 1.321 . . . . 0.0 108.079 175.046 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 177.245 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.212 -0.912 0 CA-C-N 114.314 -1.312 . . . . 0.0 110.113 -179.941 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-O 116.041 -1.933 . . . . 0.0 112.348 178.799 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.278 -2.526 0 N-CA-C 116.579 2.066 . . . . 0.0 116.579 -174.884 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.573 0 CA-C-O 122.783 1.278 . . . . 0.0 112.291 -178.953 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 122.409 2.072 . . . . 0.0 115.106 -179.526 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 177.618 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.44 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 178.33 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.101 0 O-C-N 118.333 -2.729 . . . . 0.0 114.643 -179.081 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.323 0 N-CA-C 115.959 1.837 . . . . 0.0 115.959 179.666 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.066 0 CA-C-N 120.289 1.139 . . . . 0.0 114.871 -179.62 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.277 1.031 . . . . 0.0 112.043 179.865 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 O-C-N 125.077 1.486 . . . . 0.0 111.486 -179.762 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.255 1.374 0 N-CA-C 116.88 2.178 . . . . 0.0 116.88 179.137 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 127.62 2.368 . . . . 0.0 115.572 -178.075 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.246 0.893 0 N-CA-C 117.113 2.264 . . . . 0.0 117.113 -178.532 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.482 -2.024 0 CA-C-O 115.677 -2.735 . . . . 0.0 118.869 177.659 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.937 0 CA-C-N 124.135 3.968 . . . . 0.0 111.363 179.715 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-O 115.646 -2.121 . . . . 0.0 106.288 177.502 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.528 0 O-C-N 125.489 1.743 . . . . 0.0 107.597 -178.936 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.452 0 O-C-N 125.743 1.902 . . . . 0.0 111.49 -179.633 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-O 122.155 0.979 . . . . 0.0 110.688 179.45 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.033 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 -179.893 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.266 1.967 0 O-C-N 126.049 2.093 . . . . 0.0 116.197 -179.809 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.808 0 CA-C-O 117.916 -1.04 . . . . 0.0 112.594 -178.227 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 1.972 0 N-CA-C 107.812 -2.115 . . . . 0.0 107.812 -178.378 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 125.351 2.501 . . . . 0.0 112.667 -177.845 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.836 0 CA-C-N 110.901 -2.863 . . . . 0.0 110.422 179.214 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.314 -0.961 0 O-C-N 126.35 2.281 . . . . 0.0 105.402 176.631 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.355 0 N-CA-C 117.799 2.518 . . . . 0.0 117.799 -176.56 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 178.814 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 103.798 -2.668 . . . . 0.0 103.798 177.062 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 CA-C-N 112.038 -2.346 . . . . 0.0 108.095 -179.38 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.289 0 N-CA-C 118.531 2.172 . . . . 0.0 118.531 -178.169 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.672 0 O-C-N 121.509 -0.994 . . . . 0.0 112.204 -179.616 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.611 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -177.151 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.848 0 CA-C-O 124.239 1.971 . . . . 0.0 110.076 -179.792 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.247 0.925 0 CA-C-N 113.436 -1.711 . . . . 0.0 108.34 -178.361 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 C--N 1.317 -0.481 0 CA-C-N 114.07 -1.423 . . . . 0.0 110.181 179.274 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 124.802 0.942 . . . . 0.0 110.031 179.912 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.984 0 CA-C-N 114.33 -1.304 . . . . 0.0 109.326 179.31 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.484 1.239 0 O-C-N 124.541 1.15 . . . . 0.0 110.161 178.912 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.825 0 N-CA-C 119.078 2.391 . . . . 0.0 119.078 -179.683 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.214 -0.792 0 O-C-N 120.856 -1.379 . . . . 0.0 109.11 179.454 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 107.049 -1.463 . . . . 0.0 107.049 178.614 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.876 0 O-C-N 125.648 1.843 . . . . 0.0 110.278 179.14 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.306 0.574 . . . . 0.0 111.851 -179.153 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 115.757 -2.068 . . . . 0.0 108.812 -177.912 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.293 -1.883 0 O-C-N 127.259 2.85 . . . . 0.0 110.35 178.75 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 117.683 -1.151 . . . . 0.0 109.586 -179.709 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 O-C-N 128.142 3.402 . . . . 0.0 112.869 -177.753 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.255 0 O-C-N 125.14 1.525 . . . . 0.0 111.772 -178.112 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 123.853 0.861 . . . . 0.0 110.189 178.23 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.29 -1.985 0 N-CA-C 118.028 2.603 . . . . 0.0 118.028 175.631 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.055 0 C-N-CA 124.087 0.955 . . . . 0.0 109.116 177.473 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 127.441 2.963 . . . . 0.0 111.36 -177.939 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.305 -1.362 0 C-N-CA 129.997 3.319 . . . . 0.0 108.979 178.324 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.951 0 O-C-N 126.826 2.579 . . . . 0.0 113.77 -178.154 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 -178.39 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 124.737 1.273 . . . . 0.0 109.948 178.501 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 124.018 0.927 . . . . 0.0 109.147 179.067 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 123.438 0.695 . . . . 0.0 112.711 -178.481 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-O 117.016 -1.469 . . . . 0.0 110.99 -177.858 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.63 0 CA-C-O 116.747 -1.597 . . . . 0.0 110.691 -176.961 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.176 0 CA-C-N 119.513 1.051 . . . . 0.0 112.827 -178.835 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 124.96 1.304 . . . . 0.0 111.663 -178.438 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 124.979 1.424 . . . . 0.0 108.282 -179.58 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 126.569 2.418 . . . . 0.0 111.648 -178.965 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.249 1.034 0 C-N-CA 120.167 -0.613 . . . . 0.0 110.535 177.526 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 -177.767 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.522 0 C-N-CA 125.717 1.607 . . . . 0.0 111.241 177.382 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.466 0.662 0 O-C-N 121.339 -0.851 . . . . 0.0 114.238 -179.419 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.633 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 179.259 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.322 -0.622 0 O-C-N 119.804 -1.81 . . . . 0.0 109.641 -179.32 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 116.332 1.975 . . . . 0.0 116.332 -176.928 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 125.266 1.604 . . . . 0.0 110.308 -176.667 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 112.565 -2.107 . . . . 0.0 108.341 176.012 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 N-CA-C 104.455 -2.424 . . . . 0.0 104.455 178.514 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 125.316 1.635 . . . . 0.0 108.3 -177.718 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.304 -1.242 0 O-C-N 125.852 1.97 . . . . 0.0 111.0 -175.537 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.443 0 O-C-N 126.254 2.713 . . . . 0.0 115.046 -176.523 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.522 0 O-C-N 120.424 -1.422 . . . . 0.0 113.825 177.711 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.363 0 N-CA-C 115.618 1.71 . . . . 0.0 115.618 -176.994 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.263 1.815 0 CA-C-O 115.081 -2.39 . . . . 0.0 112.834 -178.778 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.261 1.665 0 CA-C-N 120.923 1.692 . . . . 0.0 114.814 -177.99 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.311 -1.083 0 C-N-CA 127.07 2.148 . . . . 0.0 111.201 -179.553 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.432 0 O-C-N 126.171 2.17 . . . . 0.0 110.454 -179.737 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 125.364 1.466 . . . . 0.0 107.081 177.856 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.261 1.676 0 C-N-CA 126.556 1.943 . . . . 0.0 112.621 179.024 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.159 0 CA-C-N 113.171 -1.831 . . . . 0.0 111.446 -177.729 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.125 0 C-N-CA 123.815 0.846 . . . . 0.0 113.167 -179.078 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 104.19 -2.522 . . . . 0.0 104.19 177.409 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 104.867 -2.272 . . . . 0.0 104.867 178.613 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 128.488 3.617 . . . . 0.0 116.996 -175.598 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.332 0 N-CA-C 105.315 -3.114 . . . . 0.0 105.315 177.045 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.372 0 O-C-N 128.495 3.115 . . . . 0.0 106.567 179.767 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.244 0.806 0 C-N-CA 118.962 -1.095 . . . . 0.0 112.719 -177.6 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.774 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 177.596 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.828 0 CA-C-O 122.468 1.128 . . . . 0.0 108.066 176.437 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 121.504 1.47 . . . . 0.0 111.823 -179.702 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 176.975 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 105.348 -2.093 . . . . 0.0 105.348 177.53 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 122.789 1.28 . . . . 0.0 110.104 -176.933 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.199 0 CA-C-N 112.673 -2.058 . . . . 0.0 112.759 -179.946 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.207 0 CA-C-N 118.192 0.996 . . . . 0.0 110.78 179.948 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.969 0 O-C-N 123.475 1.25 . . . . 0.0 111.683 177.389 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 103.152 -2.907 . . . . 0.0 103.152 178.536 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.306 -1.321 0 O-C-N 126.85 2.594 . . . . 0.0 112.221 -177.865 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.721 0 N-CA-C 107.57 -1.742 . . . . 0.0 107.57 177.982 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.969 0 O-C-N 128.146 3.404 . . . . 0.0 102.991 179.911 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.266 1.97 0 CA-C-O 116.051 -1.928 . . . . 0.0 108.78 -178.173 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.795 0 N-CA-C 104.074 -3.61 . . . . 0.0 104.074 178.769 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.527 0 CA-C-O 115.64 -2.124 . . . . 0.0 109.491 -177.049 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.72 0 N-CA-C 103.728 -2.693 . . . . 0.0 103.728 -179.485 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.066 0 O-C-N 127.729 3.143 . . . . 0.0 113.496 -178.961 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 106.334 -1.728 . . . . 0.0 106.334 -177.951 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.925 0 N-CA-C 107.617 -2.193 . . . . 0.0 107.617 -179.474 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.567 -2.137 . . . . 0.0 110.271 -178.089 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.312 1 O-C-N 115.441 -4.537 . . . . 0.0 100.616 -171.093 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.445 -1.34 0 CA-C-O 115.273 -2.053 . . . . 0.0 112.127 177.635 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.272 -2.795 0 CA-C-N 120.677 1.58 . . . . 0.0 109.561 177.81 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.425 0 CA-C-N 112.806 -1.997 . . . . 0.0 110.621 178.351 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.283 0 O-C-N 120.956 -1.09 . . . . 0.0 110.385 178.571 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.15 0 O-C-N 125.832 1.957 . . . . 0.0 110.281 -178.383 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.289 -2.058 0 O-C-N 127.026 2.704 . . . . 0.0 107.029 178.995 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.484 -1.594 0 CA-C-O 122.195 0.998 . . . . 0.0 112.961 177.873 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.895 0 O-C-N 117.518 -3.238 . . . . 0.0 114.589 179.658 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.798 0 O-C-N 125.618 1.824 . . . . 0.0 108.126 179.466 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.579 1 O-C-N 129.244 4.09 . . . . 0.0 109.77 179.233 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 120.054 -1.654 . . . . 0.0 111.862 179.039 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.53 0 C-N-CA 125.107 1.363 . . . . 0.0 112.786 178.717 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.054 0 C-N-CA 128.013 2.721 . . . . 0.0 114.268 -179.232 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.273 2.29 0 C-N-CA 128.296 2.638 . . . . 0.0 111.496 -178.431 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 C-N-CA 117.571 -1.652 . . . . 0.0 107.394 179.927 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.074 0 CA-C-O 117.239 -1.363 . . . . 0.0 109.035 179.983 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.32 0 C-N-CA 122.857 2.371 . . . . 0.0 111.734 178.798 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.017 0 O-C-N 118.614 -2.554 . . . . 0.0 115.712 -177.897 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.058 0 C-N-CA 126.649 1.98 . . . . 0.0 110.921 178.235 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.936 0 C-N-CA 123.411 2.74 . . . . 0.0 115.517 -179.664 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.692 0 CA-C-N 121.308 1.867 . . . . 0.0 113.479 177.965 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 124.945 1.298 . . . . 0.0 108.018 -179.979 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.246 0.877 0 C-N-CA 119.066 -1.053 . . . . 0.0 109.776 179.054 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.62 -0.675 . . . . 0.0 109.332 179.085 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 114.257 -1.338 . . . . 0.0 109.759 179.865 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 119.55 1.068 . . . . 0.0 111.962 -178.011 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-O 117.055 -1.45 . . . . 0.0 111.818 -178.018 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 -178.927 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.453 0 CA-C-N 114.615 -1.175 . . . . 0.0 109.178 179.731 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-O 124.873 2.273 . . . . 0.0 109.423 178.314 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.033 0 CA-C-N 112.743 -2.026 . . . . 0.0 111.329 178.764 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-N 121.094 1.77 . . . . 0.0 112.709 179.857 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.301 0 CA-C-O 118.49 -0.767 . . . . 0.0 112.284 -176.275 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 O-C-N 124.061 0.85 . . . . 0.0 109.103 -179.337 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-O 115.218 -2.325 . . . . 0.0 110.866 -178.072 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.307 -1.25 0 O-C-N 127.585 3.053 . . . . 0.0 111.068 178.97 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.771 0 C-N-CA 127.403 2.281 . . . . 0.0 113.744 -177.155 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 125.965 2.041 . . . . 0.0 112.186 -179.887 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.381 0 CA-C-N 121.275 1.852 . . . . 0.0 114.826 179.862 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.593 0 C-N-CA 124.787 1.235 . . . . 0.0 111.432 179.566 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 107.181 -1.415 . . . . 0.0 107.181 178.967 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.233 0 N-CA-C 107.307 -1.368 . . . . 0.0 107.307 178.203 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 O-C-N 124.836 1.335 . . . . 0.0 110.047 -178.695 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-N 113.688 -1.597 . . . . 0.0 110.997 178.351 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 127.094 2.157 . . . . 0.0 112.535 -178.533 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 113.726 -1.579 . . . . 0.0 111.971 179.758 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-O 116.775 -1.583 . . . . 0.0 111.685 -178.29 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 126.513 2.383 . . . . 0.0 107.579 178.898 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 C--N 1.312 -1.032 0 C-N-CA 126.382 1.873 . . . . 0.0 113.13 179.277 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.638 -179.229 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.169 0 O-C-N 124.413 1.07 . . . . 0.0 108.185 178.148 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 116.554 -1.688 . . . . 0.0 112.108 179.023 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.518 0 N-CA-C 115.884 1.809 . . . . 0.0 115.884 -179.726 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 O-C-N 124.46 1.1 . . . . 0.0 111.151 -177.945 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.311 -1.108 0 O-C-N 125.438 1.711 . . . . 0.0 111.399 -178.688 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.04 0 C-N-CA 127.253 2.221 . . . . 0.0 107.481 179.099 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 500' ' ' MXT . . . . . 1.137 ' C12' ' N ' ' A' ' 41' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 600' ' ' MXT . . . . . 0.729 ' O12' H231 ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 23.4 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.301 0 O-C-N 125.664 1.852 . . . . 0.0 106.882 170.273 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.729 1 O-C-N 129.183 4.254 . . . . 0.0 107.996 -176.065 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.944 0 CA-C-N 121.029 1.74 . . . . 0.0 112.644 -178.394 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.193 0 CA-C-N 114.238 -1.346 . . . . 0.0 110.916 -178.766 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.191 0 C-N-CA 127.011 2.124 . . . . 0.0 110.264 -177.918 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.453 0 O-C-N 120.908 -1.12 . . . . 0.0 109.818 179.141 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.26 1.612 0 N-CA-C 105.916 -1.883 . . . . 0.0 105.916 -178.062 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 127.127 2.767 . . . . 0.0 107.818 179.305 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.572 1.806 0 CA-C-O 115.439 -2.22 . . . . 0.0 106.433 179.591 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 C--N 1.278 -2.531 1 O-C-N 130.683 4.989 . . . . 0.0 106.32 177.581 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.177 0 CA-C-O 113.728 -3.034 . . . . 0.0 105.896 -179.814 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-N 121.176 1.807 . . . . 0.0 110.025 -177.761 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.793 0 O-C-N 125.857 1.973 . . . . 0.0 105.771 -176.563 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.254 1.342 0 O-C-N 127.502 3.002 . . . . 0.0 112.748 -176.319 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.926 0 O-C-N 127.186 2.804 . . . . 0.0 112.282 177.617 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.91 0 O-C-N 119.123 -2.236 . . . . 0.0 111.926 -179.639 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.331 -0.207 0 O-C-N 126.634 2.459 . . . . 0.0 109.713 -174.894 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.323 -0.775 0 C-N-CA 124.674 3.583 . . . . 0.0 111.972 179.7 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.857 0 CA-C-N 111.724 -2.489 . . . . 0.0 106.717 179.157 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.26 0 O-C-N 127.533 3.386 . . . . 0.0 107.892 178.981 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.329 -0.498 0 C-N-CA 121.867 1.711 . . . . 0.0 108.28 178.886 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.595 0 O-C-N 127.043 2.714 . . . . 0.0 112.155 179.929 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.996 0 C-N-CA 126.712 2.005 . . . . 0.0 114.899 -174.427 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.703 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 175.005 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.299 0 O-C-N 124.858 1.349 . . . . 0.0 113.681 -175.806 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.403 0 CA-C-O 117.41 -1.281 . . . . 0.0 112.781 -179.413 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.253 1.259 0 CA-C-N 121.734 2.061 . . . . 0.0 114.935 179.634 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.454 0 C-N-CA 122.096 1.864 . . . . 0.0 113.311 178.161 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.893 0 C-N-CA 129.811 3.244 . . . . 0.0 112.273 178.858 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.051 0 O-C-N 119.404 -2.06 . . . . 0.0 109.523 177.987 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.345 0 CA-C-O 115.598 -2.144 . . . . 0.0 109.258 179.724 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 127.403 2.94 . . . . 0.0 109.381 179.594 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.253 1.241 0 O-C-N 120.33 -1.481 . . . . 0.0 112.883 177.189 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 122.023 0.916 . . . . 0.0 113.351 179.023 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.306 -1.286 0 C-N-CA 126.495 1.918 . . . . 0.0 109.276 179.737 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.78 0 O-C-N 125.184 1.552 . . . . 0.0 110.247 175.837 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.142 0 C-N-CA 127.106 2.163 . . . . 0.0 114.601 178.814 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.008 0 CA-C-O 117.035 -1.98 . . . . 0.0 112.348 178.47 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 118.16 0.98 . . . . 0.0 108.555 179.235 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 107.265 -1.383 . . . . 0.0 107.265 176.033 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.942 0 C-N-CA 123.896 0.878 . . . . 0.0 112.857 -179.467 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.463 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -175.569 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.31 -1.131 0 C-N-CA 125.025 1.33 . . . . 0.0 108.084 175.097 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 177.271 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.927 0 CA-C-N 114.318 -1.31 . . . . 0.0 110.066 -179.894 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-O 116.009 -1.948 . . . . 0.0 112.311 178.813 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.278 -2.524 0 N-CA-C 116.585 2.068 . . . . 0.0 116.585 -174.879 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.618 0 CA-C-O 122.755 1.264 . . . . 0.0 112.305 -178.969 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 122.43 2.086 . . . . 0.0 115.113 -179.563 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 177.644 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.441 0 N-CA-C 115.192 1.553 . . . . 0.0 115.192 178.319 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.497 -1.084 0 O-C-N 118.362 -2.711 . . . . 0.0 114.597 -179.077 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.337 0 N-CA-C 115.989 1.848 . . . . 0.0 115.989 179.669 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.04 0 CA-C-N 120.27 1.132 . . . . 0.0 114.891 -179.655 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.241 1.017 . . . . 0.0 112.07 179.835 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 O-C-N 125.049 1.468 . . . . 0.0 111.47 -179.753 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.305 0 N-CA-C 116.918 2.192 . . . . 0.0 116.918 179.139 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 127.611 2.364 . . . . 0.0 115.568 -178.105 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.856 0 N-CA-C 117.114 2.265 . . . . 0.0 117.114 -178.519 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.038 0 CA-C-O 115.656 -2.747 . . . . 0.0 118.826 177.642 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.933 1 CA-C-N 124.215 4.008 . . . . 0.0 111.364 179.752 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-O 115.629 -2.129 . . . . 0.0 106.27 177.546 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.302 -1.49 0 O-C-N 125.486 1.741 . . . . 0.0 107.644 -178.991 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.467 0 O-C-N 125.803 1.939 . . . . 0.0 111.496 -179.673 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 122.115 0.96 . . . . 0.0 110.723 179.489 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.248 1.01 0 N-CA-C 106.757 -1.571 . . . . 0.0 106.757 -179.877 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 1.989 0 O-C-N 126.069 2.106 . . . . 0.0 116.195 -179.81 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.809 0 CA-C-O 117.961 -1.019 . . . . 0.0 112.579 -178.286 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.485 1.932 0 N-CA-C 107.819 -2.112 . . . . 0.0 107.819 -178.434 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 125.381 2.515 . . . . 0.0 112.694 -177.883 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.832 0 CA-C-N 110.871 -2.877 . . . . 0.0 110.407 179.275 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -1.011 0 O-C-N 126.375 2.297 . . . . 0.0 105.438 176.616 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.441 0 N-CA-C 117.739 2.496 . . . . 0.0 117.739 -176.514 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 178.833 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 103.779 -2.674 . . . . 0.0 103.779 177.106 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 CA-C-N 112.024 -2.353 . . . . 0.0 108.018 -179.304 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.337 0 N-CA-C 118.54 2.176 . . . . 0.0 118.54 -178.218 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.688 0 O-C-N 121.421 -1.047 . . . . 0.0 112.23 -179.635 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.66 0 O-C-N 123.665 0.603 . . . . 0.0 112.614 -177.136 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 124.216 1.96 . . . . 0.0 110.074 -179.757 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.873 0 CA-C-N 113.473 -1.694 . . . . 0.0 108.377 -178.445 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 C--N 1.318 -0.432 0 CA-C-N 114.061 -1.427 . . . . 0.0 110.225 179.277 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 124.831 0.959 . . . . 0.0 109.969 179.944 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.981 0 CA-C-N 114.409 -1.269 . . . . 0.0 109.322 179.33 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.224 0 O-C-N 124.605 1.191 . . . . 0.0 110.217 178.879 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 CA--C 1.501 -0.843 0 N-CA-C 119.05 2.38 . . . . 0.0 119.05 -179.632 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.214 -0.815 0 O-C-N 120.833 -1.392 . . . . 0.0 109.124 179.457 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 178.602 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.896 0 O-C-N 125.685 1.865 . . . . 0.0 110.279 179.121 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.336 0.588 . . . . 0.0 111.897 -179.195 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 115.743 -2.075 . . . . 0.0 108.848 -177.947 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.293 -1.877 0 O-C-N 127.255 2.847 . . . . 0.0 110.41 178.702 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-O 117.671 -1.157 . . . . 0.0 109.581 -179.713 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 O-C-N 128.178 3.424 . . . . 0.0 112.821 -177.678 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.281 0 O-C-N 125.083 1.489 . . . . 0.0 111.699 -178.06 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 123.848 0.859 . . . . 0.0 110.178 178.288 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.941 0 N-CA-C 118.064 2.616 . . . . 0.0 118.064 175.672 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.032 0 C-N-CA 124.097 0.959 . . . . 0.0 109.037 177.551 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 127.417 2.948 . . . . 0.0 111.376 -177.893 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.41 0 C-N-CA 129.963 3.305 . . . . 0.0 108.995 178.291 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.923 0 O-C-N 126.779 2.55 . . . . 0.0 113.776 -178.122 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 -178.441 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 124.709 1.256 . . . . 0.0 110.002 178.499 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.303 -1.445 0 C-N-CA 124.051 0.94 . . . . 0.0 109.215 179.026 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.855 0 C-N-CA 123.463 0.705 . . . . 0.0 112.714 -178.491 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-O 117.017 -1.468 . . . . 0.0 110.967 -177.811 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.622 0 CA-C-O 116.796 -1.573 . . . . 0.0 110.724 -176.94 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.252 1.185 0 CA-C-N 119.531 1.06 . . . . 0.0 112.838 -178.878 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 124.984 1.314 . . . . 0.0 111.707 -178.479 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.674 0 O-C-N 125.044 1.465 . . . . 0.0 108.312 -179.616 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 126.581 2.426 . . . . 0.0 111.63 -178.941 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 0.996 0 C-N-CA 120.132 -0.627 . . . . 0.0 110.517 177.555 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.728 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -177.755 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.542 0 C-N-CA 125.678 1.591 . . . . 0.0 111.259 177.374 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.466 0.687 0 O-C-N 121.283 -0.886 . . . . 0.0 114.225 -179.437 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.625 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 179.246 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.32 -0.674 0 O-C-N 119.892 -1.755 . . . . 0.0 109.631 -179.322 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 116.37 1.989 . . . . 0.0 116.37 -177.007 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 125.267 1.605 . . . . 0.0 110.32 -176.657 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--O 1.212 -0.893 0 CA-C-N 112.524 -2.126 . . . . 0.0 108.282 176.007 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 N-CA-C 104.515 -2.402 . . . . 0.0 104.515 178.46 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 125.374 1.671 . . . . 0.0 108.276 -177.669 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.302 -1.325 0 O-C-N 125.918 2.011 . . . . 0.0 111.01 -175.569 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.437 0 O-C-N 126.291 2.732 . . . . 0.0 115.06 -176.547 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.505 0 O-C-N 120.436 -1.415 . . . . 0.0 113.859 177.673 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.385 0 N-CA-C 115.583 1.698 . . . . 0.0 115.583 -176.968 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--N 1.295 -1.798 0 CA-C-O 115.095 -2.383 . . . . 0.0 112.809 -178.741 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.259 1.595 0 CA-C-N 120.913 1.688 . . . . 0.0 114.858 -177.984 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.047 0 C-N-CA 127.04 2.136 . . . . 0.0 111.217 -179.584 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 O-C-N 126.255 2.222 . . . . 0.0 110.46 -179.738 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 125.352 1.461 . . . . 0.0 107.062 177.927 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.736 0 C-N-CA 126.635 1.974 . . . . 0.0 112.584 178.988 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.252 1.21 0 CA-C-N 113.194 -1.821 . . . . 0.0 111.441 -177.695 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.127 0 C-N-CA 123.875 0.87 . . . . 0.0 113.166 -179.107 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 N-CA-C 104.139 -2.541 . . . . 0.0 104.139 177.434 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 104.825 -2.287 . . . . 0.0 104.825 178.63 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 128.489 3.618 . . . . 0.0 117.015 -175.651 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.584 4.37 0 N-CA-C 105.28 -3.128 . . . . 0.0 105.28 177.082 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.392 0 O-C-N 128.504 3.12 . . . . 0.0 106.55 179.804 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.827 0 C-N-CA 118.94 -1.104 . . . . 0.0 112.689 -177.617 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.763 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 177.532 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.816 0 CA-C-O 122.47 1.128 . . . . 0.0 108.128 176.398 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.291 0 C-N-CA 121.518 1.479 . . . . 0.0 111.865 -179.704 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 177.016 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 105.308 -2.108 . . . . 0.0 105.308 177.504 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 122.808 1.289 . . . . 0.0 110.101 -176.974 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.25 1.141 0 CA-C-N 112.613 -2.085 . . . . 0.0 112.771 179.15 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.23 0 CA-C-N 118.163 0.981 . . . . 0.0 110.735 179.723 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.927 0 O-C-N 123.474 1.249 . . . . 0.0 111.637 177.279 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 103.168 -2.901 . . . . 0.0 103.168 178.476 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.306 -1.326 0 O-C-N 126.851 2.594 . . . . 0.0 112.256 -178.664 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.693 0 N-CA-C 107.558 -1.747 . . . . 0.0 107.558 179.572 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.942 0 O-C-N 128.117 3.386 . . . . 0.0 103.049 -179.936 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 2.0 0 CA-C-O 115.981 -1.961 . . . . 0.0 108.828 179.262 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.827 0 N-CA-C 104.068 -3.613 . . . . 0.0 104.068 -179.289 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.525 0 CA-C-O 115.702 -2.094 . . . . 0.0 109.476 -178.068 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.569 1.69 0 N-CA-C 103.747 -2.686 . . . . 0.0 103.747 -179.134 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.074 0 O-C-N 127.692 3.12 . . . . 0.0 113.513 -179.077 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 106.37 -1.715 . . . . 0.0 106.37 -177.998 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.957 0 O-C-N 126.27 2.231 . . . . 0.0 107.614 -179.376 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.081 -2.423 . . . . 0.0 110.271 -177.564 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--N 1.304 -1.382 1 O-C-N 115.349 -4.594 . . . . 0.0 100.631 -174.499 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.307 0 CA-C-O 115.204 -2.082 . . . . 0.0 112.1 -179.779 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.817 0 CA-C-N 120.716 1.598 . . . . 0.0 109.598 177.821 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.423 0 CA-C-N 112.809 -1.996 . . . . 0.0 110.637 178.27 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.285 0 O-C-N 120.973 -1.079 . . . . 0.0 110.447 178.547 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.141 0 O-C-N 125.835 1.959 . . . . 0.0 110.257 -178.387 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.066 0 O-C-N 127.031 2.707 . . . . 0.0 107.036 178.971 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.598 0 CA-C-O 122.27 1.033 . . . . 0.0 112.954 177.909 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.89 0 O-C-N 117.446 -3.284 . . . . 0.0 114.595 179.604 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.801 0 O-C-N 125.594 1.809 . . . . 0.0 108.14 179.514 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.565 1 O-C-N 129.177 4.048 . . . . 0.0 109.771 179.158 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 120.019 -1.676 . . . . 0.0 111.873 179.053 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 125.143 1.377 . . . . 0.0 112.742 178.732 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.048 0 C-N-CA 128.012 2.72 . . . . 0.0 114.352 -179.34 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.246 0 C-N-CA 128.227 2.611 . . . . 0.0 111.433 -178.295 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 C-N-CA 117.586 -1.646 . . . . 0.0 107.4 179.541 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.106 0 CA-C-O 117.283 -1.341 . . . . 0.0 109.011 -179.661 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.314 0 C-N-CA 122.855 2.37 . . . . 0.0 111.762 179.305 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.021 0 O-C-N 118.643 -2.535 . . . . 0.0 115.679 -177.664 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.056 0 C-N-CA 126.58 1.952 . . . . 0.0 110.944 179.218 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.506 -0.884 0 C-N-CA 123.458 2.772 . . . . 0.0 115.482 178.778 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-N 121.28 1.855 . . . . 0.0 113.464 178.006 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 124.969 1.308 . . . . 0.0 107.989 -179.955 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.244 0.811 0 C-N-CA 119.05 -1.06 . . . . 0.0 109.764 179.128 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.6 -0.688 . . . . 0.0 109.343 179.1 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 114.178 -1.373 . . . . 0.0 109.749 179.828 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-N 119.572 1.078 . . . . 0.0 111.916 -177.963 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-O 117.057 -1.449 . . . . 0.0 111.825 -177.98 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 115.048 1.499 . . . . 0.0 115.048 -178.903 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.459 0 CA-C-N 114.576 -1.193 . . . . 0.0 109.164 179.703 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-O 124.814 2.245 . . . . 0.0 109.453 178.329 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.499 -1.017 0 CA-C-N 112.76 -2.018 . . . . 0.0 111.322 178.754 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.74 0 CA-C-N 121.076 1.762 . . . . 0.0 112.746 179.858 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.291 0 CA-C-O 118.51 -0.757 . . . . 0.0 112.301 -176.316 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 O-C-N 124.043 0.84 . . . . 0.0 109.074 -179.314 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-O 115.229 -2.32 . . . . 0.0 110.9 -178.116 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.202 0 O-C-N 127.552 3.032 . . . . 0.0 111.055 178.972 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.792 0 C-N-CA 127.367 2.267 . . . . 0.0 113.791 -177.163 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 125.973 2.046 . . . . 0.0 112.188 -179.919 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.361 0 CA-C-N 121.33 1.877 . . . . 0.0 114.812 179.866 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.565 0 C-N-CA 124.812 1.245 . . . . 0.0 111.417 179.519 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 178.907 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.307 -1.247 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 178.222 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 O-C-N 124.781 1.301 . . . . 0.0 110.05 -178.656 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 113.627 -1.624 . . . . 0.0 111.048 178.316 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.513 0 C-N-CA 127.122 2.169 . . . . 0.0 112.518 -178.521 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 113.702 -1.59 . . . . 0.0 111.954 179.774 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-O 116.746 -1.597 . . . . 0.0 111.658 -178.264 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 126.51 2.381 . . . . 0.0 107.498 178.934 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 C--N 1.313 -1.019 0 C-N-CA 126.399 1.88 . . . . 0.0 113.125 179.254 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.591 -179.176 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.193 0 O-C-N 124.454 1.096 . . . . 0.0 108.246 178.144 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 116.61 -1.662 . . . . 0.0 112.116 179.066 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.512 0 N-CA-C 115.942 1.83 . . . . 0.0 115.942 -179.772 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.673 0 O-C-N 124.444 1.09 . . . . 0.0 111.075 -177.951 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.309 -1.165 0 O-C-N 125.458 1.724 . . . . 0.0 111.39 -178.662 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.09 0 C-N-CA 127.258 2.223 . . . . 0.0 107.457 179.103 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 500' ' ' MXT . . . . . 0.9 ' O11' H231 ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 600' ' ' MXT . . . . . 0.565 H231 ' O12' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.441 ' C ' H121 ' A' ' 500' ' ' MXT . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 1.054 ' H ' H122 ' A' ' 500' ' ' MXT . 2.0 m -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.427 ' H ' H112 ' A' ' 500' ' ' MXT . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.296 0 O-C-N 125.664 1.852 . . . . 0.0 106.872 169.168 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.721 1 O-C-N 129.21 4.268 . . . . 0.0 107.989 -175.639 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.899 0 CA-C-N 121.016 1.734 . . . . 0.0 112.59 -178.003 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.186 0 CA-C-N 114.25 -1.341 . . . . 0.0 110.918 -177.384 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.194 0 C-N-CA 127.037 2.135 . . . . 0.0 110.27 -177.211 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.256 1.429 0 O-C-N 120.88 -1.138 . . . . 0.0 109.86 179.159 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.561 0 N-CA-C 105.963 -1.865 . . . . 0.0 105.963 -177.256 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 127.124 2.765 . . . . 0.0 107.847 179.585 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.756 0 CA-C-O 115.444 -2.217 . . . . 0.0 106.465 178.363 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 C--N 1.277 -2.55 1 O-C-N 130.667 4.979 . . . . 0.0 106.317 177.377 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.128 0 CA-C-O 113.743 -3.027 . . . . 0.0 105.879 -179.815 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-N 121.143 1.792 . . . . 0.0 110.034 -177.791 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 125.864 1.978 . . . . 0.0 105.799 -176.586 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.376 0 O-C-N 127.475 2.984 . . . . 0.0 112.731 -176.344 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.267 2.003 0 O-C-N 127.237 2.836 . . . . 0.0 112.207 177.663 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.314 -0.936 0 O-C-N 119.049 -2.282 . . . . 0.0 111.833 -179.597 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--O 1.225 -0.211 0 O-C-N 126.634 2.459 . . . . 0.0 109.708 -174.847 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.323 -0.768 0 C-N-CA 124.68 3.587 . . . . 0.0 111.918 179.724 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.847 0 CA-C-N 111.741 -2.481 . . . . 0.0 106.811 179.124 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.315 -1.231 0 O-C-N 127.506 3.371 . . . . 0.0 107.897 179.0 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.514 0 CA-C-O 116.15 -1.688 . . . . 0.0 108.349 178.821 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.608 0 O-C-N 127.076 2.735 . . . . 0.0 112.129 179.995 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -2.001 0 C-N-CA 126.727 2.011 . . . . 0.0 114.879 -174.482 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.693 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 175.011 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 124.872 1.357 . . . . 0.0 113.588 -175.758 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.257 1.45 0 CA-C-O 117.432 -1.271 . . . . 0.0 112.775 -179.398 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.295 0 CA-C-N 121.744 2.066 . . . . 0.0 114.917 179.609 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.311 -1.437 0 C-N-CA 122.129 1.886 . . . . 0.0 113.297 178.117 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.885 0 C-N-CA 129.785 3.234 . . . . 0.0 112.259 178.937 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.039 0 O-C-N 119.416 -2.053 . . . . 0.0 109.493 178.011 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.347 0 CA-C-O 115.545 -2.169 . . . . 0.0 109.216 179.719 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 127.428 2.955 . . . . 0.0 109.412 179.632 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.253 1.277 0 O-C-N 120.305 -1.497 . . . . 0.0 112.834 177.198 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 122.048 0.927 . . . . 0.0 113.377 179.044 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.306 -1.287 0 C-N-CA 126.5 1.92 . . . . 0.0 109.267 179.718 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 125.07 1.481 . . . . 0.0 110.276 175.838 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.161 0 C-N-CA 127.049 2.14 . . . . 0.0 114.618 178.793 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.01 0 CA-C-O 117.075 -1.958 . . . . 0.0 112.372 178.463 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 118.15 0.975 . . . . 0.0 108.471 179.284 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 176.013 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.944 0 C-N-CA 123.928 0.891 . . . . 0.0 112.916 -179.489 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.474 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -175.567 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.097 0 C-N-CA 124.999 1.319 . . . . 0.0 108.103 175.067 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 177.266 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.961 0 CA-C-N 114.299 -1.319 . . . . 0.0 110.096 -179.881 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 115.934 -1.984 . . . . 0.0 112.27 178.85 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.565 0 C-N-CA 126.869 2.067 . . . . 0.0 116.516 -174.833 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.587 0 CA-C-O 122.74 1.257 . . . . 0.0 112.294 -178.891 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 122.428 2.085 . . . . 0.0 115.096 -179.563 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 177.685 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.414 0 N-CA-C 115.189 1.551 . . . . 0.0 115.189 178.296 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.497 -1.063 0 O-C-N 118.322 -2.736 . . . . 0.0 114.611 -179.041 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.299 0 N-CA-C 115.974 1.842 . . . . 0.0 115.974 179.681 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.053 0 CA-C-N 120.29 1.139 . . . . 0.0 114.844 -179.593 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.314 1.046 . . . . 0.0 112.052 179.809 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 O-C-N 125.102 1.501 . . . . 0.0 111.415 -179.697 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.255 1.353 0 N-CA-C 116.891 2.182 . . . . 0.0 116.891 179.184 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 127.633 2.373 . . . . 0.0 115.554 -178.068 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.839 0 N-CA-C 117.14 2.274 . . . . 0.0 117.14 -178.531 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.088 0 CA-C-O 115.738 -2.701 . . . . 0.0 118.868 177.685 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.292 -1.909 0 CA-C-N 124.156 3.978 . . . . 0.0 111.421 179.697 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-O 115.643 -2.122 . . . . 0.0 106.278 177.525 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.517 0 O-C-N 125.51 1.756 . . . . 0.0 107.617 -178.944 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.484 0 O-C-N 125.717 1.885 . . . . 0.0 111.493 -179.637 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-O 122.085 0.945 . . . . 0.0 110.73 179.438 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.248 1.009 0 N-CA-C 106.746 -1.576 . . . . 0.0 106.746 -179.89 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 1.976 0 O-C-N 126.035 2.085 . . . . 0.0 116.214 -179.808 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.264 1.83 0 CA-C-O 117.887 -1.054 . . . . 0.0 112.586 -178.223 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 1.99 0 N-CA-C 107.763 -2.135 . . . . 0.0 107.763 -178.412 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 125.342 2.496 . . . . 0.0 112.685 -177.869 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.858 0 CA-C-N 110.861 -2.881 . . . . 0.0 110.411 179.201 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 126.396 2.31 . . . . 0.0 105.383 176.63 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.36 0 N-CA-C 117.812 2.523 . . . . 0.0 117.812 -176.586 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 178.854 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 103.861 -2.644 . . . . 0.0 103.861 177.054 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 CA-C-N 112.021 -2.354 . . . . 0.0 108.018 -179.288 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.317 0 N-CA-C 118.59 2.196 . . . . 0.0 118.59 -178.258 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.243 0.716 0 O-C-N 121.459 -1.024 . . . . 0.0 112.215 -179.657 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.664 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -177.209 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.867 0 CA-C-O 124.242 1.973 . . . . 0.0 110.039 -179.771 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.87 0 CA-C-N 113.435 -1.711 . . . . 0.0 108.375 -178.365 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.463 0.473 0 CA-C-N 114.036 -1.438 . . . . 0.0 110.211 179.3 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 124.787 0.934 . . . . 0.0 109.992 179.919 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 1.002 0 CA-C-N 114.423 -1.262 . . . . 0.0 109.354 179.31 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.222 0 O-C-N 124.553 1.158 . . . . 0.0 110.169 178.869 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 CA--C 1.5 -0.859 0 N-CA-C 119.067 2.387 . . . . 0.0 119.067 -179.692 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.214 -0.805 0 O-C-N 120.802 -1.41 . . . . 0.0 109.058 179.495 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.297 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 178.646 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.874 0 O-C-N 125.697 1.873 . . . . 0.0 110.241 179.15 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.316 0.579 . . . . 0.0 111.902 -179.141 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 115.795 -2.05 . . . . 0.0 108.824 -177.933 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.293 -1.873 0 O-C-N 127.215 2.822 . . . . 0.0 110.391 178.735 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-O 117.672 -1.156 . . . . 0.0 109.604 -179.742 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 O-C-N 128.123 3.39 . . . . 0.0 112.805 -177.67 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.272 0 O-C-N 125.134 1.521 . . . . 0.0 111.722 -178.098 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 123.849 0.86 . . . . 0.0 110.229 178.265 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.292 -1.926 0 N-CA-C 118.094 2.627 . . . . 0.0 118.094 175.743 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.045 0 C-N-CA 124.071 0.948 . . . . 0.0 109.086 177.497 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 127.417 2.948 . . . . 0.0 111.327 -177.949 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 130.027 3.331 . . . . 0.0 108.973 178.288 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.971 0 O-C-N 126.779 2.55 . . . . 0.0 113.74 -178.143 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 115.248 1.573 . . . . 0.0 115.248 -178.398 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 124.739 1.274 . . . . 0.0 109.94 178.548 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.303 -1.417 0 C-N-CA 124.045 0.938 . . . . 0.0 109.184 179.031 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.876 0 C-N-CA 123.516 0.726 . . . . 0.0 112.73 -178.477 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-O 117.018 -1.468 . . . . 0.0 111.017 -177.845 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.622 0 CA-C-O 116.797 -1.573 . . . . 0.0 110.689 -176.964 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.17 0 CA-C-N 119.564 1.075 . . . . 0.0 112.834 -178.882 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 124.909 1.284 . . . . 0.0 111.717 -178.473 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 125.054 1.471 . . . . 0.0 108.278 -179.57 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 126.563 2.414 . . . . 0.0 111.571 -178.93 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 0.976 0 C-N-CA 120.156 -0.618 . . . . 0.0 110.494 177.604 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 -177.736 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.532 0 C-N-CA 125.659 1.584 . . . . 0.0 111.238 177.428 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 C--O 1.243 0.702 0 O-C-N 121.272 -0.892 . . . . 0.0 114.285 -179.39 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.51 -0.581 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 179.238 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 119.859 -1.775 . . . . 0.0 109.622 -179.346 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 116.405 2.002 . . . . 0.0 116.405 -177.04 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 125.221 1.576 . . . . 0.0 110.326 -176.641 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 112.54 -2.118 . . . . 0.0 108.303 175.997 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 N-CA-C 104.524 -2.399 . . . . 0.0 104.524 178.518 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 125.371 1.669 . . . . 0.0 108.275 -177.65 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.302 -1.31 0 O-C-N 125.89 1.994 . . . . 0.0 110.973 -175.527 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.461 0 O-C-N 126.249 2.71 . . . . 0.0 115.037 -176.519 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.522 0 O-C-N 120.438 -1.414 . . . . 0.0 113.796 177.707 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.375 0 N-CA-C 115.599 1.703 . . . . 0.0 115.599 -176.969 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.264 1.829 0 CA-C-O 115.103 -2.379 . . . . 0.0 112.769 -178.716 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.259 1.599 0 CA-C-N 120.94 1.7 . . . . 0.0 114.864 -177.99 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.035 0 C-N-CA 126.987 2.115 . . . . 0.0 111.196 -179.569 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 O-C-N 126.195 2.184 . . . . 0.0 110.486 -179.744 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 125.361 1.464 . . . . 0.0 107.076 177.874 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.718 0 C-N-CA 126.615 1.966 . . . . 0.0 112.602 179.006 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.15 0 CA-C-N 113.176 -1.829 . . . . 0.0 111.419 -177.683 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.309 -1.162 0 C-N-CA 123.861 0.864 . . . . 0.0 113.193 -179.062 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 104.17 -2.53 . . . . 0.0 104.17 177.435 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 104.814 -2.291 . . . . 0.0 104.814 178.65 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 128.537 3.648 . . . . 0.0 116.933 -175.605 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.303 0 N-CA-C 105.36 -3.096 . . . . 0.0 105.36 177.025 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.273 2.304 0 O-C-N 128.515 3.127 . . . . 0.0 106.486 179.83 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.843 0 C-N-CA 118.94 -1.104 . . . . 0.0 112.695 -177.608 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 177.539 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.823 0 CA-C-O 122.468 1.127 . . . . 0.0 108.101 176.422 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 121.526 1.484 . . . . 0.0 111.842 -179.738 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 177.001 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 105.331 -2.1 . . . . 0.0 105.331 177.542 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 122.804 1.288 . . . . 0.0 110.126 -176.902 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.201 0 CA-C-N 112.651 -2.068 . . . . 0.0 112.732 179.601 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.223 0 CA-C-N 118.232 1.016 . . . . 0.0 110.73 179.793 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.955 0 O-C-N 123.514 1.271 . . . . 0.0 111.692 177.059 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 103.149 -2.908 . . . . 0.0 103.149 178.607 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.306 -1.309 0 O-C-N 126.846 2.591 . . . . 0.0 112.185 -178.703 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.691 0 N-CA-C 107.549 -1.751 . . . . 0.0 107.549 -179.878 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.944 0 O-C-N 128.094 3.371 . . . . 0.0 102.956 -179.95 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 2.008 0 CA-C-O 115.943 -1.98 . . . . 0.0 108.811 -179.593 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 C--N 1.293 -1.826 0 N-CA-C 104.101 -3.599 . . . . 0.0 104.101 -179.491 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.528 0 CA-C-O 115.7 -2.095 . . . . 0.0 109.522 -177.782 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.716 0 N-CA-C 103.73 -2.693 . . . . 0.0 103.73 -179.776 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.077 0 O-C-N 127.715 3.134 . . . . 0.0 113.533 -178.295 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 106.32 -1.733 . . . . 0.0 106.32 -178.033 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.947 0 O-C-N 126.306 2.254 . . . . 0.0 107.639 -179.266 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.343 -2.269 . . . . 0.0 110.271 -177.31 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.253 1.275 0 N-CA-C 100.611 -3.848 . . . . 0.0 100.611 -177.764 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.322 0 CA-C-O 115.227 -2.072 . . . . 0.0 112.077 179.681 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.272 -2.795 0 CA-C-N 120.739 1.608 . . . . 0.0 109.562 177.832 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.436 0 CA-C-N 112.822 -1.99 . . . . 0.0 110.591 178.334 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.432 -1.333 0 O-C-N 120.925 -1.109 . . . . 0.0 110.406 178.535 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.17 0 O-C-N 125.794 1.934 . . . . 0.0 110.277 -178.335 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.074 0 O-C-N 127.074 2.734 . . . . 0.0 107.068 178.92 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.606 0 CA-C-O 122.224 1.011 . . . . 0.0 112.902 177.909 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.878 0 O-C-N 117.448 -3.282 . . . . 0.0 114.546 179.725 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.791 0 O-C-N 125.641 1.838 . . . . 0.0 108.125 179.511 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.299 -1.606 1 O-C-N 129.242 4.089 . . . . 0.0 109.77 179.163 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 120.004 -1.685 . . . . 0.0 111.863 179.086 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.529 0 C-N-CA 125.127 1.371 . . . . 0.0 112.767 178.752 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.062 0 C-N-CA 127.982 2.706 . . . . 0.0 114.323 -178.833 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.289 0 C-N-CA 128.275 2.63 . . . . 0.0 111.556 -178.903 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 C-N-CA 117.585 -1.646 . . . . 0.0 107.401 -179.604 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.289 -2.057 0 CA-C-O 117.275 -1.345 . . . . 0.0 109.026 -179.805 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 N--CA 1.49 1.322 0 C-N-CA 122.862 2.374 . . . . 0.0 111.735 179.74 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.014 0 O-C-N 118.636 -2.54 . . . . 0.0 115.706 -176.318 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.313 -1.018 0 C-N-CA 126.614 1.966 . . . . 0.0 110.916 179.335 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.506 -0.919 0 C-N-CA 123.448 2.766 . . . . 0.0 115.48 -178.46 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.701 0 CA-C-N 121.299 1.863 . . . . 0.0 113.476 177.971 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.799 0 C-N-CA 124.954 1.301 . . . . 0.0 108.063 179.957 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.863 0 C-N-CA 119.026 -1.069 . . . . 0.0 109.76 179.104 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.589 -0.694 . . . . 0.0 109.293 179.113 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 114.211 -1.359 . . . . 0.0 109.715 179.875 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-N 119.578 1.081 . . . . 0.0 111.928 -177.958 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-O 117.039 -1.458 . . . . 0.0 111.858 -178.0 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 115.033 1.494 . . . . 0.0 115.033 -178.96 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.482 0 CA-C-N 114.547 -1.206 . . . . 0.0 109.144 179.806 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-O 124.889 2.281 . . . . 0.0 109.456 178.323 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.048 0 CA-C-N 112.703 -2.044 . . . . 0.0 111.32 178.756 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.73 0 CA-C-N 121.105 1.775 . . . . 0.0 112.741 179.841 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.295 0 CA-C-O 118.458 -0.782 . . . . 0.0 112.316 -176.306 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 O-C-N 124.096 0.873 . . . . 0.0 109.117 -179.332 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-O 115.234 -2.317 . . . . 0.0 110.893 -178.128 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.222 0 O-C-N 127.556 3.035 . . . . 0.0 111.035 179.005 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.784 0 C-N-CA 127.374 2.27 . . . . 0.0 113.722 -177.118 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 125.997 2.061 . . . . 0.0 112.15 -179.859 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.378 0 CA-C-N 121.329 1.877 . . . . 0.0 114.798 179.813 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.572 0 C-N-CA 124.801 1.241 . . . . 0.0 111.364 179.588 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 178.945 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.307 -1.246 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 178.274 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 O-C-N 124.811 1.319 . . . . 0.0 110.046 -178.696 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 113.65 -1.614 . . . . 0.0 111.052 178.316 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.501 0 C-N-CA 127.105 2.162 . . . . 0.0 112.524 -178.505 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 113.716 -1.584 . . . . 0.0 111.97 179.762 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 116.706 -1.616 . . . . 0.0 111.668 -178.319 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 126.54 2.4 . . . . 0.0 107.503 178.931 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.051 0 C-N-CA 126.401 1.88 . . . . 0.0 113.139 179.26 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.611 -179.214 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.308 -1.227 0 O-C-N 124.466 1.104 . . . . 0.0 108.215 178.179 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 116.567 -1.682 . . . . 0.0 112.093 179.075 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.257 1.493 0 N-CA-C 115.911 1.819 . . . . 0.0 115.911 -179.759 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 O-C-N 124.47 1.106 . . . . 0.0 111.097 -177.95 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.137 0 O-C-N 125.528 1.767 . . . . 0.0 111.375 -178.678 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.076 0 C-N-CA 127.277 2.231 . . . . 0.0 107.454 179.098 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 500' ' ' MXT . . . . . 1.054 H122 ' H ' ' A' ' 41' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 600' ' ' MXT . . . . . 0.815 H231 ' O11' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.738 ' HA ' H121 ' A' ' 500' ' ' MXT . 31.6 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 1.056 ' H ' H122 ' A' ' 500' ' ' MXT . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.298 0 O-C-N 125.664 1.852 . . . . 0.0 106.878 167.809 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.73 1 O-C-N 129.214 4.271 . . . . 0.0 107.967 -172.867 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.918 0 CA-C-N 121.003 1.728 . . . . 0.0 112.606 -178.551 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.206 0 CA-C-N 114.224 -1.353 . . . . 0.0 110.944 -177.255 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.187 0 C-N-CA 126.964 2.105 . . . . 0.0 110.213 -176.268 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.256 1.446 0 O-C-N 120.91 -1.119 . . . . 0.0 109.814 179.765 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.603 0 N-CA-C 105.963 -1.866 . . . . 0.0 105.963 -176.964 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 127.185 2.803 . . . . 0.0 107.86 -179.365 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.57 1.736 0 CA-C-O 115.435 -2.221 . . . . 0.0 106.457 177.195 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.566 1 O-C-N 130.653 4.971 . . . . 0.0 106.328 177.858 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.128 0 CA-C-O 113.784 -3.008 . . . . 0.0 105.819 -179.789 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-N 121.105 1.775 . . . . 0.0 110.012 -177.755 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.802 0 O-C-N 125.919 2.012 . . . . 0.0 105.785 -176.607 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.381 0 O-C-N 127.461 2.975 . . . . 0.0 112.731 -176.366 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.955 0 O-C-N 127.252 2.845 . . . . 0.0 112.295 177.622 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.314 -0.936 0 O-C-N 119.111 -2.243 . . . . 0.0 111.95 -179.681 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.331 -0.202 0 O-C-N 126.637 2.461 . . . . 0.0 109.72 -174.883 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.73 0 C-N-CA 124.649 3.566 . . . . 0.0 111.936 179.765 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.475 0.823 0 CA-C-N 111.779 -2.464 . . . . 0.0 106.736 179.134 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.253 0 O-C-N 127.543 3.391 . . . . 0.0 107.89 178.977 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.514 0 C-N-CA 121.845 1.697 . . . . 0.0 108.278 178.856 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.426 -1.632 0 O-C-N 127.029 2.705 . . . . 0.0 112.171 179.941 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.996 0 C-N-CA 126.744 2.018 . . . . 0.0 114.935 -174.48 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.57 1.713 0 N-CA-C 107.683 -1.228 . . . . 0.0 107.683 175.054 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 124.893 1.371 . . . . 0.0 113.62 -175.749 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.435 0 CA-C-O 117.42 -1.276 . . . . 0.0 112.791 -179.453 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.253 1.279 0 CA-C-N 121.725 2.057 . . . . 0.0 114.967 179.545 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.452 0 C-N-CA 122.143 1.896 . . . . 0.0 113.338 178.073 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.895 0 C-N-CA 129.772 3.229 . . . . 0.0 112.268 178.887 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.04 0 O-C-N 119.398 -2.064 . . . . 0.0 109.505 177.989 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.559 1.324 0 CA-C-O 115.611 -2.138 . . . . 0.0 109.242 179.742 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 127.349 2.905 . . . . 0.0 109.383 179.599 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.219 0 O-C-N 120.315 -1.491 . . . . 0.0 112.899 177.154 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-O 122.053 0.93 . . . . 0.0 113.377 179.022 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.269 0 C-N-CA 126.515 1.926 . . . . 0.0 109.254 179.769 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 125.13 1.519 . . . . 0.0 110.235 175.892 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.143 0 C-N-CA 127.051 2.14 . . . . 0.0 114.599 178.798 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 1.999 0 CA-C-O 117.079 -1.956 . . . . 0.0 112.323 178.435 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-N 118.161 0.98 . . . . 0.0 108.49 179.259 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 107.227 -1.398 . . . . 0.0 107.227 176.02 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.93 0 C-N-CA 123.877 0.871 . . . . 0.0 112.867 -179.518 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.467 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 -175.565 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.31 -1.126 0 C-N-CA 125.057 1.343 . . . . 0.0 108.1 175.096 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.276 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.931 0 CA-C-N 114.318 -1.31 . . . . 0.0 110.05 -179.897 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-O 115.932 -1.985 . . . . 0.0 112.281 178.783 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.276 -2.588 0 C-N-CA 126.885 2.074 . . . . 0.0 116.558 -174.913 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.609 0 CA-C-O 122.765 1.269 . . . . 0.0 112.333 -178.943 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 122.372 2.048 . . . . 0.0 115.11 -179.523 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 107.459 -1.312 . . . . 0.0 107.459 177.64 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.257 1.468 0 N-CA-C 115.156 1.539 . . . . 0.0 115.156 178.34 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.497 -1.086 0 O-C-N 118.362 -2.711 . . . . 0.0 114.62 -179.06 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.314 0 N-CA-C 115.954 1.835 . . . . 0.0 115.954 179.687 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.052 0 CA-C-N 120.246 1.123 . . . . 0.0 114.858 -179.594 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.294 1.038 . . . . 0.0 112.028 179.892 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 O-C-N 125.102 1.501 . . . . 0.0 111.433 -179.71 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.315 0 N-CA-C 116.934 2.198 . . . . 0.0 116.934 179.1 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 127.608 2.363 . . . . 0.0 115.576 -178.071 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.839 0 N-CA-C 117.129 2.27 . . . . 0.0 117.129 -178.542 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.035 0 CA-C-O 115.684 -2.731 . . . . 0.0 118.826 177.668 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.961 0 CA-C-N 124.194 3.997 . . . . 0.0 111.369 179.718 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.652 -2.118 . . . . 0.0 106.259 177.524 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.302 -1.494 0 O-C-N 125.459 1.724 . . . . 0.0 107.616 -178.948 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.256 1.44 0 O-C-N 125.762 1.914 . . . . 0.0 111.452 -179.625 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-O 122.104 0.954 . . . . 0.0 110.703 179.453 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.055 0 N-CA-C 106.723 -1.584 . . . . 0.0 106.723 -179.885 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 2.002 0 O-C-N 126.038 2.086 . . . . 0.0 116.237 -179.855 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.799 0 CA-C-O 117.961 -1.019 . . . . 0.0 112.589 -178.235 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.485 1.966 0 N-CA-C 107.829 -2.108 . . . . 0.0 107.829 -178.386 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 125.303 2.478 . . . . 0.0 112.68 -177.801 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.246 0.88 0 CA-C-N 110.923 -2.853 . . . . 0.0 110.403 179.239 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -0.993 0 O-C-N 126.355 2.284 . . . . 0.0 105.422 176.613 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.392 0 N-CA-C 117.771 2.508 . . . . 0.0 117.771 -176.529 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 178.806 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 103.853 -2.647 . . . . 0.0 103.853 177.035 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 CA-C-N 112.0 -2.364 . . . . 0.0 108.002 -179.269 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.3 0 N-CA-C 118.524 2.17 . . . . 0.0 118.524 -178.209 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.71 0 O-C-N 121.438 -1.036 . . . . 0.0 112.245 -179.678 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.662 0 O-C-N 123.69 0.619 . . . . 0.0 112.667 -177.227 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.87 0 CA-C-O 124.252 1.977 . . . . 0.0 110.039 -179.775 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.89 0 CA-C-N 113.402 -1.726 . . . . 0.0 108.45 -178.449 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.463 0.448 0 CA-C-N 113.991 -1.459 . . . . 0.0 110.199 179.291 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 124.865 0.98 . . . . 0.0 110.037 179.903 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.247 0.971 0 CA-C-N 114.35 -1.295 . . . . 0.0 109.341 179.305 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.197 0 O-C-N 124.52 1.138 . . . . 0.0 110.217 178.871 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 CA--C 1.501 -0.828 0 N-CA-C 119.017 2.367 . . . . 0.0 119.017 -179.635 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.817 0 O-C-N 120.886 -1.361 . . . . 0.0 109.06 179.484 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 178.695 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.913 0 O-C-N 125.736 1.897 . . . . 0.0 110.204 179.186 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.339 0.59 . . . . 0.0 111.886 -179.185 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 115.707 -2.092 . . . . 0.0 108.787 -177.904 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.899 0 O-C-N 127.251 2.845 . . . . 0.0 110.343 178.718 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 117.671 -1.157 . . . . 0.0 109.605 -179.666 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 O-C-N 128.149 3.405 . . . . 0.0 112.796 -177.679 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.258 0 O-C-N 125.141 1.525 . . . . 0.0 111.74 -178.08 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 123.888 0.875 . . . . 0.0 110.151 178.303 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.958 0 N-CA-C 118.063 2.616 . . . . 0.0 118.063 175.69 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.053 0 C-N-CA 124.118 0.967 . . . . 0.0 109.074 177.568 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 127.387 2.929 . . . . 0.0 111.439 -177.978 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.378 0 C-N-CA 129.977 3.311 . . . . 0.0 108.999 178.305 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.246 0.909 0 O-C-N 126.734 2.521 . . . . 0.0 113.735 -178.114 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 115.276 1.584 . . . . 0.0 115.276 -178.422 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 124.728 1.267 . . . . 0.0 109.957 178.522 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.388 0 C-N-CA 123.998 0.919 . . . . 0.0 109.13 179.066 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.864 0 C-N-CA 123.498 0.719 . . . . 0.0 112.706 -178.455 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-O 117.011 -1.471 . . . . 0.0 111.021 -177.837 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 CA-C-O 116.748 -1.596 . . . . 0.0 110.665 -176.98 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.252 1.193 0 CA-C-N 119.578 1.081 . . . . 0.0 112.801 -178.813 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 124.948 1.299 . . . . 0.0 111.695 -178.467 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 125.028 1.455 . . . . 0.0 108.32 -179.6 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 126.557 2.411 . . . . 0.0 111.592 -178.972 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.249 1.055 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.53 177.564 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.734 0 N-CA-C 114.304 1.224 . . . . 0.0 114.304 -177.756 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 125.69 1.596 . . . . 0.0 111.274 177.37 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.466 0.676 0 O-C-N 121.306 -0.872 . . . . 0.0 114.218 -179.472 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.626 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 179.249 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 119.843 -1.786 . . . . 0.0 109.618 -179.325 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.9 0 N-CA-C 116.368 1.988 . . . . 0.0 116.368 -176.974 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 125.278 1.611 . . . . 0.0 110.329 -176.67 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 112.529 -2.123 . . . . 0.0 108.33 176.071 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 N-CA-C 104.5 -2.407 . . . . 0.0 104.5 178.481 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 125.42 1.7 . . . . 0.0 108.246 -177.663 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.274 0 O-C-N 125.902 2.001 . . . . 0.0 110.968 -175.545 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.474 -2.477 0 O-C-N 126.335 2.755 . . . . 0.0 115.06 -176.53 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.257 1.477 0 O-C-N 120.417 -1.427 . . . . 0.0 113.842 177.702 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.37 0 N-CA-C 115.613 1.709 . . . . 0.0 115.613 -177.007 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--N 1.294 -1.807 0 CA-C-O 115.094 -2.384 . . . . 0.0 112.825 -178.702 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.608 0 CA-C-N 120.889 1.677 . . . . 0.0 114.866 -178.057 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.026 0 C-N-CA 127.023 2.129 . . . . 0.0 111.249 -179.585 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 126.262 2.226 . . . . 0.0 110.462 -179.783 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 125.35 1.46 . . . . 0.0 107.105 177.909 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.756 0 C-N-CA 126.552 1.941 . . . . 0.0 112.591 178.988 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.181 0 CA-C-N 113.225 -1.807 . . . . 0.0 111.388 -177.657 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.309 -1.174 0 C-N-CA 123.831 0.853 . . . . 0.0 113.171 -179.087 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 104.181 -2.525 . . . . 0.0 104.181 177.434 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 104.809 -2.293 . . . . 0.0 104.809 178.668 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 128.513 3.633 . . . . 0.0 116.962 -175.623 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.312 0 N-CA-C 105.331 -3.108 . . . . 0.0 105.331 177.072 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.273 2.342 0 O-C-N 128.527 3.133 . . . . 0.0 106.529 179.739 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.827 0 C-N-CA 118.913 -1.115 . . . . 0.0 112.673 -177.625 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.746 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 177.523 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.244 0.81 0 CA-C-O 122.453 1.12 . . . . 0.0 108.089 176.459 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 121.459 1.439 . . . . 0.0 111.922 -179.721 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 177.01 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 105.357 -2.09 . . . . 0.0 105.357 177.479 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 122.814 1.292 . . . . 0.0 110.134 -176.886 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.184 0 CA-C-N 112.712 -2.04 . . . . 0.0 112.81 -179.694 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.2 0 CA-C-N 118.164 0.982 . . . . 0.0 110.743 179.971 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.954 0 O-C-N 123.493 1.259 . . . . 0.0 111.659 177.329 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 103.183 -2.895 . . . . 0.0 103.183 178.421 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.328 0 O-C-N 126.85 2.594 . . . . 0.0 112.24 -178.51 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.44 -1.647 0 N-CA-C 107.572 -1.742 . . . . 0.0 107.572 -179.843 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.94 0 O-C-N 128.131 3.394 . . . . 0.0 102.991 179.647 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.266 1.971 0 CA-C-O 116.006 -1.95 . . . . 0.0 108.841 -179.617 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.544 1.85 0 N-CA-C 104.085 -3.606 . . . . 0.0 104.085 179.102 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.523 0 CA-C-O 115.672 -2.109 . . . . 0.0 109.482 -177.628 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.74 0 N-CA-C 103.724 -2.695 . . . . 0.0 103.724 -179.988 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.072 0 O-C-N 127.8 3.187 . . . . 0.0 113.523 -178.684 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 -177.183 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.926 0 O-C-N 126.216 2.198 . . . . 0.0 107.647 179.933 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 118.483 -2.775 . . . . 0.0 110.271 -176.926 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.253 1.276 1 O-C-N 114.498 -5.126 . . . . 0.0 100.65 -173.759 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.307 0 CA-C-O 115.216 -2.076 . . . . 0.0 112.126 177.894 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.272 -2.796 0 CA-C-N 120.704 1.593 . . . . 0.0 109.598 177.778 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.428 0 CA-C-N 112.837 -1.983 . . . . 0.0 110.588 178.303 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.313 0 O-C-N 120.946 -1.096 . . . . 0.0 110.42 178.573 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.161 0 O-C-N 125.773 1.92 . . . . 0.0 110.274 -178.354 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.289 -2.029 0 O-C-N 127.02 2.7 . . . . 0.0 107.06 178.97 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.634 0 CA-C-O 122.21 1.005 . . . . 0.0 112.914 177.899 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.44 -0.931 0 O-C-N 117.442 -3.286 . . . . 0.0 114.641 179.653 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.814 0 O-C-N 125.593 1.808 . . . . 0.0 108.136 179.477 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.299 -1.591 1 O-C-N 129.232 4.083 . . . . 0.0 109.763 179.203 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 120.085 -1.634 . . . . 0.0 111.874 179.058 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.53 0 C-N-CA 125.134 1.373 . . . . 0.0 112.752 178.704 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.054 0 C-N-CA 128.042 2.734 . . . . 0.0 114.268 -179.052 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.287 0 C-N-CA 128.264 2.626 . . . . 0.0 111.526 -179.512 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 C-N-CA 117.591 -1.644 . . . . 0.0 107.417 179.664 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.289 -2.06 0 CA-C-O 117.268 -1.348 . . . . 0.0 109.052 -179.619 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 N--CA 1.49 1.317 0 C-N-CA 122.833 2.356 . . . . 0.0 111.79 177.391 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.249 1.045 0 O-C-N 118.648 -2.533 . . . . 0.0 115.672 -179.553 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.061 0 C-N-CA 126.611 1.964 . . . . 0.0 110.89 -179.504 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.953 0 C-N-CA 123.461 2.774 . . . . 0.0 115.481 179.107 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-N 121.31 1.868 . . . . 0.0 113.461 178.029 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.803 0 C-N-CA 124.974 1.31 . . . . 0.0 108.061 179.98 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.827 0 C-N-CA 119.017 -1.073 . . . . 0.0 109.781 179.087 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.608 -0.683 . . . . 0.0 109.285 179.071 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 114.235 -1.348 . . . . 0.0 109.729 179.865 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.305 0 CA-C-N 119.589 1.086 . . . . 0.0 111.947 -177.941 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-O 117.091 -1.433 . . . . 0.0 111.852 -178.035 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.297 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -178.955 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.478 0 CA-C-N 114.534 -1.212 . . . . 0.0 109.151 179.772 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-O 124.911 2.291 . . . . 0.0 109.422 178.319 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.497 -1.065 0 CA-C-N 112.742 -2.026 . . . . 0.0 111.314 178.757 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-N 121.141 1.791 . . . . 0.0 112.712 179.859 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.294 0 CA-C-O 118.436 -0.792 . . . . 0.0 112.269 -176.267 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 O-C-N 124.077 0.86 . . . . 0.0 109.108 -179.302 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-O 115.227 -2.32 . . . . 0.0 110.856 -178.097 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.231 0 O-C-N 127.549 3.03 . . . . 0.0 111.066 178.971 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.792 0 C-N-CA 127.406 2.282 . . . . 0.0 113.771 -177.121 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 125.933 2.02 . . . . 0.0 112.185 -179.875 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.346 0 CA-C-N 121.295 1.861 . . . . 0.0 114.826 179.861 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.566 0 C-N-CA 124.785 1.234 . . . . 0.0 111.457 179.555 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 178.922 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 178.288 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.944 0 O-C-N 124.798 1.311 . . . . 0.0 110.059 -178.657 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-N 113.631 -1.622 . . . . 0.0 111.066 178.318 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 127.129 2.171 . . . . 0.0 112.534 -178.604 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 113.727 -1.579 . . . . 0.0 111.989 179.754 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-O 116.748 -1.596 . . . . 0.0 111.661 -178.292 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 126.527 2.392 . . . . 0.0 107.537 178.937 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.437 -1.076 0 C-N-CA 126.445 1.898 . . . . 0.0 113.127 179.245 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.574 -179.163 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.308 -1.212 0 O-C-N 124.43 1.081 . . . . 0.0 108.2 178.152 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 116.574 -1.679 . . . . 0.0 112.101 179.016 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.519 0 N-CA-C 115.897 1.814 . . . . 0.0 115.897 -179.707 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 O-C-N 124.463 1.102 . . . . 0.0 111.134 -177.92 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.111 0 O-C-N 125.409 1.693 . . . . 0.0 111.347 -178.635 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.075 0 C-N-CA 127.279 2.232 . . . . 0.0 107.445 179.088 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 500' ' ' MXT . . . . . 1.056 H122 ' H ' ' A' ' 42' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 600' ' ' MXT . . . . . 0.88 ' O11' H231 ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.526 ' HB2' H121 ' A' ' 500' ' ' MXT . 0.8 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.312 0 O-C-N 125.664 1.852 . . . . 0.0 106.857 171.856 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.781 1 O-C-N 129.263 4.296 . . . . 0.0 107.961 -177.06 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.929 0 CA-C-N 120.99 1.723 . . . . 0.0 112.671 -178.351 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.201 0 CA-C-N 114.227 -1.351 . . . . 0.0 110.935 -178.594 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.198 0 C-N-CA 127.006 2.122 . . . . 0.0 110.231 -177.965 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.491 0 O-C-N 120.923 -1.111 . . . . 0.0 109.823 179.748 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.579 0 N-CA-C 105.946 -1.872 . . . . 0.0 105.946 -177.68 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 127.142 2.776 . . . . 0.0 107.803 179.14 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.782 0 CA-C-O 115.424 -2.227 . . . . 0.0 106.476 178.017 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.511 2.584 1 O-C-N 130.714 5.009 . . . . 0.0 106.295 177.622 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.165 0 CA-C-O 113.784 -3.007 . . . . 0.0 105.844 -179.817 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-N 121.124 1.784 . . . . 0.0 110.024 -177.773 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 125.915 2.009 . . . . 0.0 105.765 -176.596 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.367 0 O-C-N 127.491 2.994 . . . . 0.0 112.773 -176.381 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.957 0 O-C-N 127.247 2.842 . . . . 0.0 112.247 177.675 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.314 -0.948 0 O-C-N 119.07 -2.269 . . . . 0.0 111.915 -179.689 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.331 -0.198 0 O-C-N 126.64 2.463 . . . . 0.0 109.692 -174.918 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.325 -0.698 0 C-N-CA 124.665 3.577 . . . . 0.0 111.962 179.677 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.873 0 CA-C-N 111.709 -2.496 . . . . 0.0 106.741 179.169 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.267 0 O-C-N 127.517 3.377 . . . . 0.0 107.892 178.969 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.501 0 C-N-CA 121.829 1.686 . . . . 0.0 108.32 178.863 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.6 0 O-C-N 127.072 2.733 . . . . 0.0 112.113 179.982 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.999 0 C-N-CA 126.753 2.021 . . . . 0.0 114.893 -174.418 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.692 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 175.019 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 124.915 1.384 . . . . 0.0 113.651 -175.844 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.418 0 CA-C-O 117.383 -1.294 . . . . 0.0 112.761 -179.375 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.253 1.271 0 CA-C-N 121.727 2.058 . . . . 0.0 114.968 179.615 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.311 -1.445 0 C-N-CA 122.127 1.885 . . . . 0.0 113.305 178.089 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.292 -1.903 0 C-N-CA 129.81 3.244 . . . . 0.0 112.287 178.907 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.044 0 O-C-N 119.406 -2.059 . . . . 0.0 109.548 177.921 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.33 0 CA-C-O 115.578 -2.154 . . . . 0.0 109.207 179.738 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 127.36 2.913 . . . . 0.0 109.4 179.603 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.253 1.244 0 O-C-N 120.269 -1.519 . . . . 0.0 112.893 177.156 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 122.044 0.926 . . . . 0.0 113.384 179.002 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.262 0 C-N-CA 126.454 1.902 . . . . 0.0 109.233 179.751 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 125.094 1.496 . . . . 0.0 110.225 175.907 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.153 0 C-N-CA 127.098 2.159 . . . . 0.0 114.592 178.831 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 1.995 0 CA-C-O 117.074 -1.959 . . . . 0.0 112.366 178.48 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-N 118.122 0.961 . . . . 0.0 108.51 179.301 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 176.042 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.248 0.979 0 C-N-CA 123.92 0.888 . . . . 0.0 112.843 -179.471 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.465 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 -175.562 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.102 0 C-N-CA 125.086 1.354 . . . . 0.0 108.13 175.105 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 177.301 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.21 -0.982 0 CA-C-N 114.31 -1.314 . . . . 0.0 110.107 -179.942 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-O 115.952 -1.975 . . . . 0.0 112.308 178.808 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.559 0 N-CA-C 116.594 2.072 . . . . 0.0 116.594 -174.906 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.603 0 CA-C-O 122.734 1.254 . . . . 0.0 112.342 -178.95 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 122.392 2.061 . . . . 0.0 115.12 -179.562 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 107.435 -1.321 . . . . 0.0 107.435 177.671 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.255 1.394 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 178.348 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.497 -1.094 0 O-C-N 118.315 -2.74 . . . . 0.0 114.61 -179.039 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.294 0 N-CA-C 115.955 1.835 . . . . 0.0 115.955 179.686 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.046 0 CA-C-N 120.284 1.137 . . . . 0.0 114.862 -179.587 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.252 1.021 . . . . 0.0 112.018 179.856 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 O-C-N 125.04 1.463 . . . . 0.0 111.493 -179.74 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.341 0 N-CA-C 116.878 2.177 . . . . 0.0 116.878 179.146 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 127.699 2.4 . . . . 0.0 115.557 -178.059 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.868 0 N-CA-C 117.158 2.281 . . . . 0.0 117.158 -178.573 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.079 0 CA-C-O 115.691 -2.727 . . . . 0.0 118.871 177.651 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.949 0 CA-C-N 124.168 3.984 . . . . 0.0 111.369 179.725 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-O 115.638 -2.125 . . . . 0.0 106.272 177.491 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.505 0 O-C-N 125.462 1.726 . . . . 0.0 107.645 -178.974 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.477 0 O-C-N 125.774 1.921 . . . . 0.0 111.515 -179.677 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-O 122.111 0.958 . . . . 0.0 110.699 179.486 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.036 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 -179.899 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 2.007 0 O-C-N 125.998 2.061 . . . . 0.0 116.184 -179.797 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.805 0 CA-C-O 117.912 -1.042 . . . . 0.0 112.602 -178.227 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.485 1.923 0 N-CA-C 107.858 -2.097 . . . . 0.0 107.858 -178.387 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 125.325 2.488 . . . . 0.0 112.699 -177.843 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.836 0 CA-C-N 110.907 -2.861 . . . . 0.0 110.399 179.193 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 126.414 2.321 . . . . 0.0 105.409 176.601 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.406 0 N-CA-C 117.81 2.522 . . . . 0.0 117.81 -176.571 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 178.81 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 103.816 -2.661 . . . . 0.0 103.816 177.051 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 CA-C-N 111.941 -2.391 . . . . 0.0 108.048 -179.359 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.254 1.366 0 N-CA-C 118.56 2.184 . . . . 0.0 118.56 -178.218 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.672 0 O-C-N 121.449 -1.03 . . . . 0.0 112.207 -179.611 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.654 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -177.194 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.847 0 CA-C-O 124.257 1.98 . . . . 0.0 110.039 -179.793 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.909 0 CA-C-N 113.398 -1.728 . . . . 0.0 108.409 -178.394 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 C--N 1.318 -0.45 0 CA-C-N 114.066 -1.425 . . . . 0.0 110.173 179.285 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 124.802 0.943 . . . . 0.0 110.049 179.917 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 1.017 0 CA-C-N 114.361 -1.29 . . . . 0.0 109.334 179.288 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.484 1.231 0 O-C-N 124.542 1.151 . . . . 0.0 110.172 178.91 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 CA--C 1.501 -0.831 0 N-CA-C 119.071 2.389 . . . . 0.0 119.071 -179.65 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.214 -0.796 0 O-C-N 120.803 -1.41 . . . . 0.0 109.077 179.505 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 178.634 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.266 1.941 0 O-C-N 125.712 1.883 . . . . 0.0 110.225 179.156 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.312 0.577 . . . . 0.0 111.878 -179.166 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 115.725 -2.083 . . . . 0.0 108.816 -177.896 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.909 0 O-C-N 127.249 2.843 . . . . 0.0 110.351 178.685 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 117.695 -1.145 . . . . 0.0 109.582 -179.697 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 O-C-N 128.106 3.379 . . . . 0.0 112.825 -177.703 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.256 0 O-C-N 125.076 1.485 . . . . 0.0 111.747 -178.073 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 123.865 0.866 . . . . 0.0 110.238 178.222 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.292 -1.93 0 N-CA-C 118.056 2.613 . . . . 0.0 118.056 175.738 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.051 0 C-N-CA 124.127 0.971 . . . . 0.0 109.123 177.487 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 127.428 2.955 . . . . 0.0 111.386 -177.913 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.403 0 C-N-CA 130.014 3.326 . . . . 0.0 109.024 178.274 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.968 0 O-C-N 126.779 2.549 . . . . 0.0 113.79 -178.139 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 115.293 1.59 . . . . 0.0 115.293 -178.456 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 124.73 1.268 . . . . 0.0 109.945 178.556 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 123.997 0.919 . . . . 0.0 109.168 179.035 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 123.445 0.698 . . . . 0.0 112.745 -178.529 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-O 116.976 -1.487 . . . . 0.0 110.971 -177.819 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.678 0 CA-C-O 116.727 -1.606 . . . . 0.0 110.676 -176.954 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.252 1.19 0 CA-C-N 119.595 1.089 . . . . 0.0 112.832 -178.843 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 124.976 1.31 . . . . 0.0 111.685 -178.51 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 125.054 1.471 . . . . 0.0 108.314 -179.609 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 126.542 2.401 . . . . 0.0 111.633 -178.965 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.009 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.499 177.546 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.728 0 N-CA-C 114.306 1.225 . . . . 0.0 114.306 -177.726 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.536 0 C-N-CA 125.663 1.585 . . . . 0.0 111.22 177.409 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.466 0.677 0 O-C-N 121.338 -0.851 . . . . 0.0 114.307 -179.384 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 179.229 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 119.842 -1.786 . . . . 0.0 109.698 -179.406 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 116.391 1.997 . . . . 0.0 116.391 -176.951 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 125.316 1.635 . . . . 0.0 110.297 -176.701 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 112.522 -2.126 . . . . 0.0 108.334 175.97 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 N-CA-C 104.495 -2.409 . . . . 0.0 104.495 178.481 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 125.466 1.729 . . . . 0.0 108.327 -177.686 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.298 0 O-C-N 125.87 1.981 . . . . 0.0 110.995 -175.558 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.468 0 O-C-N 126.288 2.731 . . . . 0.0 115.066 -176.535 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.542 0 O-C-N 120.395 -1.441 . . . . 0.0 113.751 177.721 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.374 0 N-CA-C 115.621 1.712 . . . . 0.0 115.621 -176.967 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.264 1.822 0 CA-C-O 115.14 -2.362 . . . . 0.0 112.847 -178.702 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.64 0 CA-C-N 120.881 1.673 . . . . 0.0 114.836 -178.025 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.054 0 C-N-CA 126.98 2.112 . . . . 0.0 111.226 -179.579 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 O-C-N 126.227 2.205 . . . . 0.0 110.44 -179.716 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 125.344 1.457 . . . . 0.0 107.096 177.868 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.737 0 C-N-CA 126.567 1.947 . . . . 0.0 112.591 179.03 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.181 0 CA-C-N 113.191 -1.822 . . . . 0.0 111.41 -177.659 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.142 0 C-N-CA 123.806 0.842 . . . . 0.0 113.135 -179.14 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 104.136 -2.542 . . . . 0.0 104.136 177.444 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 104.846 -2.279 . . . . 0.0 104.846 178.602 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 128.537 3.648 . . . . 0.0 116.964 -175.611 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.305 0 N-CA-C 105.349 -3.1 . . . . 0.0 105.349 177.009 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.367 0 O-C-N 128.53 3.135 . . . . 0.0 106.552 179.762 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.244 0.796 0 C-N-CA 118.973 -1.091 . . . . 0.0 112.692 -177.554 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.717 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 177.528 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.244 0.794 0 CA-C-O 122.447 1.118 . . . . 0.0 108.067 176.432 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.297 0 C-N-CA 121.494 1.463 . . . . 0.0 111.873 -179.766 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 176.992 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 105.297 -2.112 . . . . 0.0 105.297 177.487 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 122.784 1.278 . . . . 0.0 110.103 -176.979 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.25 1.133 0 CA-C-N 112.668 -2.06 . . . . 0.0 112.792 179.947 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.207 0 CA-C-N 118.198 0.999 . . . . 0.0 110.741 179.827 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.938 0 O-C-N 123.45 1.237 . . . . 0.0 111.671 176.876 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.054 0 N-CA-C 103.176 -2.898 . . . . 0.0 103.176 178.384 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.327 0 O-C-N 126.864 2.602 . . . . 0.0 112.249 -178.589 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.691 0 N-CA-C 107.607 -1.728 . . . . 0.0 107.607 179.697 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.947 0 O-C-N 128.081 3.363 . . . . 0.0 103.019 -179.573 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.266 1.958 0 CA-C-O 116.0 -1.952 . . . . 0.0 108.808 -178.948 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.837 0 N-CA-C 104.099 -3.6 . . . . 0.0 104.099 179.362 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.513 0 CA-C-O 115.69 -2.1 . . . . 0.0 109.458 -178.137 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.739 0 N-CA-C 103.665 -2.717 . . . . 0.0 103.665 -179.381 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.079 0 O-C-N 127.733 3.146 . . . . 0.0 113.532 -177.238 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 106.34 -1.726 . . . . 0.0 106.34 -178.5 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.501 3.019 0 O-C-N 126.286 2.241 . . . . 0.0 107.588 -179.042 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.305 -2.291 . . . . 0.0 110.271 -176.927 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--N 1.301 -1.526 1 O-C-N 116.144 -4.097 . . . . 0.0 100.622 -178.307 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.445 -1.331 0 CA-C-O 115.267 -2.056 . . . . 0.0 112.122 -178.812 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.272 -2.785 0 CA-C-N 120.741 1.61 . . . . 0.0 109.597 177.792 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.404 0 CA-C-N 112.822 -1.99 . . . . 0.0 110.582 178.313 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.296 0 O-C-N 120.92 -1.112 . . . . 0.0 110.4 178.578 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.155 0 O-C-N 125.83 1.956 . . . . 0.0 110.283 -178.345 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.076 0 O-C-N 127.014 2.696 . . . . 0.0 107.077 178.92 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.611 0 CA-C-O 122.273 1.035 . . . . 0.0 112.92 177.92 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.916 0 O-C-N 117.417 -3.302 . . . . 0.0 114.578 179.673 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.807 0 O-C-N 125.626 1.829 . . . . 0.0 108.138 179.523 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.579 1 O-C-N 129.222 4.076 . . . . 0.0 109.762 179.202 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 120.073 -1.642 . . . . 0.0 111.853 179.07 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 125.101 1.36 . . . . 0.0 112.774 178.7 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.054 0 C-N-CA 128.012 2.72 . . . . 0.0 114.318 -178.725 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.273 2.293 0 C-N-CA 128.292 2.637 . . . . 0.0 111.515 -178.882 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 C-N-CA 117.603 -1.639 . . . . 0.0 107.352 179.962 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.076 0 CA-C-O 117.28 -1.343 . . . . 0.0 109.065 179.906 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.314 -1.289 0 C-N-CA 122.878 2.385 . . . . 0.0 111.73 179.119 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 0.974 0 O-C-N 118.621 -2.549 . . . . 0.0 115.757 -178.614 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.049 0 C-N-CA 126.608 1.963 . . . . 0.0 110.949 177.831 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.943 0 C-N-CA 123.432 2.755 . . . . 0.0 115.528 179.504 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 121.245 1.839 . . . . 0.0 113.454 177.993 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 124.956 1.303 . . . . 0.0 107.992 -179.955 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.818 0 C-N-CA 119.069 -1.052 . . . . 0.0 109.763 179.107 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.61 -0.681 . . . . 0.0 109.314 179.057 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 114.222 -1.354 . . . . 0.0 109.728 179.818 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-N 119.589 1.086 . . . . 0.0 111.924 -177.92 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-O 117.076 -1.44 . . . . 0.0 111.829 -178.011 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 -178.921 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.468 0 CA-C-N 114.569 -1.196 . . . . 0.0 109.152 179.743 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-O 124.865 2.269 . . . . 0.0 109.407 178.375 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.038 0 CA-C-N 112.758 -2.019 . . . . 0.0 111.307 178.786 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.731 0 CA-C-N 121.124 1.784 . . . . 0.0 112.796 179.815 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.253 1.278 0 CA-C-O 118.48 -0.771 . . . . 0.0 112.264 -176.307 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 O-C-N 124.036 0.835 . . . . 0.0 109.134 -179.327 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-O 115.252 -2.309 . . . . 0.0 110.874 -178.114 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.198 0 O-C-N 127.526 3.016 . . . . 0.0 111.061 178.981 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.789 0 C-N-CA 127.378 2.271 . . . . 0.0 113.818 -177.204 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 125.94 2.025 . . . . 0.0 112.233 -179.941 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.255 1.412 0 CA-C-N 121.299 1.863 . . . . 0.0 114.785 179.822 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.596 0 C-N-CA 124.801 1.24 . . . . 0.0 111.454 179.522 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 178.946 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 178.205 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 O-C-N 124.848 1.343 . . . . 0.0 110.021 -178.69 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 113.633 -1.621 . . . . 0.0 111.01 178.37 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.532 0 C-N-CA 127.144 2.177 . . . . 0.0 112.512 -178.503 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 113.71 -1.586 . . . . 0.0 111.969 179.774 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.678 0 CA-C-O 116.788 -1.577 . . . . 0.0 111.692 -178.3 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 126.489 2.368 . . . . 0.0 107.559 178.898 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.437 -1.079 0 C-N-CA 126.383 1.873 . . . . 0.0 113.182 179.229 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.647 -179.226 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-O 122.345 1.069 . . . . 0.0 108.244 178.059 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-O 116.58 -1.676 . . . . 0.0 112.103 179.084 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.257 1.483 0 N-CA-C 115.905 1.817 . . . . 0.0 115.905 -179.741 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 O-C-N 124.465 1.103 . . . . 0.0 111.08 -177.907 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.11 0 O-C-N 125.403 1.69 . . . . 0.0 111.319 -178.612 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.076 0 C-N-CA 127.24 2.216 . . . . 0.0 107.446 179.102 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 500' ' ' MXT . . . . . 0.764 H231 ' O11' ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 600' ' ' MXT . . . . . 0.634 H231 ' O12' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.923 ' O ' ' O11' ' A' ' 500' ' ' MXT . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 1.227 ' CA ' H122 ' A' ' 500' ' ' MXT . 15.2 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.79 ' H ' H121 ' A' ' 500' ' ' MXT . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.307 0 O-C-N 125.664 1.852 . . . . 0.0 106.884 168.262 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.704 1 O-C-N 129.179 4.252 . . . . 0.0 107.978 -174.983 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.905 0 CA-C-N 120.992 1.723 . . . . 0.0 112.581 -177.998 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.502 2.152 0 CA-C-N 114.264 -1.334 . . . . 0.0 110.942 -177.735 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.183 0 C-N-CA 127.013 2.125 . . . . 0.0 110.216 -177.207 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.256 1.433 0 O-C-N 120.906 -1.121 . . . . 0.0 109.855 179.932 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.26 1.627 0 N-CA-C 105.973 -1.862 . . . . 0.0 105.973 -176.783 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 127.094 2.746 . . . . 0.0 107.806 179.318 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.572 1.805 0 CA-C-O 115.433 -2.222 . . . . 0.0 106.411 178.81 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.533 1 O-C-N 130.709 5.005 . . . . 0.0 106.34 177.08 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.153 0 CA-C-O 113.715 -3.04 . . . . 0.0 105.85 -179.808 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-N 121.165 1.802 . . . . 0.0 110.036 -177.806 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.294 -1.817 0 O-C-N 125.877 1.985 . . . . 0.0 105.792 -176.592 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.254 1.339 0 O-C-N 127.487 2.992 . . . . 0.0 112.786 -176.377 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.965 0 O-C-N 127.206 2.817 . . . . 0.0 112.231 177.671 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 122.167 2.258 . . . . 0.0 111.921 -179.653 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.331 -0.206 0 O-C-N 126.652 2.47 . . . . 0.0 109.697 -174.885 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.711 0 C-N-CA 124.696 3.598 . . . . 0.0 111.909 179.744 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.861 0 CA-C-N 111.697 -2.501 . . . . 0.0 106.731 179.188 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.286 0 O-C-N 127.485 3.361 . . . . 0.0 107.912 178.945 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.507 0 C-N-CA 121.841 1.694 . . . . 0.0 108.339 178.872 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.615 0 O-C-N 127.046 2.716 . . . . 0.0 112.228 179.895 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.986 0 C-N-CA 126.724 2.01 . . . . 0.0 114.901 -174.447 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.682 0 N-CA-C 107.753 -1.202 . . . . 0.0 107.753 174.991 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.314 0 O-C-N 124.849 1.343 . . . . 0.0 113.643 -175.793 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.432 0 CA-C-O 117.363 -1.303 . . . . 0.0 112.755 -179.393 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.324 0 CA-C-N 121.754 2.07 . . . . 0.0 114.953 179.595 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.458 0 C-N-CA 122.15 1.9 . . . . 0.0 113.321 178.092 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.885 0 C-N-CA 129.812 3.245 . . . . 0.0 112.272 178.886 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.051 0 O-C-N 119.362 -2.086 . . . . 0.0 109.516 177.983 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.333 0 CA-C-O 115.615 -2.136 . . . . 0.0 109.255 179.721 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 127.374 2.921 . . . . 0.0 109.393 179.603 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.228 0 O-C-N 120.261 -1.524 . . . . 0.0 112.874 177.156 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-O 122.004 0.907 . . . . 0.0 113.294 179.078 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.276 0 C-N-CA 126.513 1.925 . . . . 0.0 109.256 179.737 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.776 0 O-C-N 125.115 1.509 . . . . 0.0 110.25 175.831 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.155 0 C-N-CA 127.111 2.164 . . . . 0.0 114.592 178.854 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.011 0 CA-C-O 117.109 -1.939 . . . . 0.0 112.372 178.478 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-N 118.11 0.955 . . . . 0.0 108.512 179.234 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 176.049 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.248 0.981 0 C-N-CA 123.94 0.896 . . . . 0.0 112.869 -179.543 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.256 1.424 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 -175.534 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.083 0 C-N-CA 125.024 1.33 . . . . 0.0 108.079 175.11 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 177.31 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.95 0 CA-C-N 114.326 -1.306 . . . . 0.0 110.081 -179.929 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-O 116.029 -1.939 . . . . 0.0 112.337 178.827 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.278 -2.529 0 N-CA-C 116.555 2.058 . . . . 0.0 116.555 -174.876 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.597 0 CA-C-O 122.79 1.281 . . . . 0.0 112.28 -178.936 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 122.395 2.063 . . . . 0.0 115.134 -179.568 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 177.638 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.416 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 178.352 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.497 -1.076 0 O-C-N 118.365 -2.709 . . . . 0.0 114.576 -179.007 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.299 0 N-CA-C 115.953 1.834 . . . . 0.0 115.953 179.728 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.067 0 CA-C-N 120.264 1.13 . . . . 0.0 114.915 -179.664 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.321 1.049 . . . . 0.0 112.007 179.869 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 O-C-N 125.107 1.504 . . . . 0.0 111.445 -179.682 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.301 0 N-CA-C 116.908 2.188 . . . . 0.0 116.908 179.134 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 127.571 2.348 . . . . 0.0 115.594 -178.036 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.856 0 N-CA-C 117.12 2.267 . . . . 0.0 117.12 -178.548 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.069 0 CA-C-O 115.688 -2.729 . . . . 0.0 118.86 177.661 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.95 0 CA-C-N 124.165 3.983 . . . . 0.0 111.368 179.719 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-O 115.657 -2.116 . . . . 0.0 106.257 177.519 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.302 -1.494 0 O-C-N 125.482 1.738 . . . . 0.0 107.641 -178.986 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.484 0 O-C-N 125.8 1.938 . . . . 0.0 111.477 -179.671 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-O 122.098 0.951 . . . . 0.0 110.747 179.373 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.067 0 N-CA-C 106.762 -1.57 . . . . 0.0 106.762 -179.898 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 2.005 0 O-C-N 125.98 2.05 . . . . 0.0 116.214 -179.838 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.792 0 CA-C-O 117.921 -1.037 . . . . 0.0 112.606 -178.246 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 1.986 0 N-CA-C 107.823 -2.111 . . . . 0.0 107.823 -178.403 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 125.325 2.488 . . . . 0.0 112.666 -177.809 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.244 0.814 0 CA-C-N 110.898 -2.864 . . . . 0.0 110.406 179.197 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -0.984 0 O-C-N 126.347 2.279 . . . . 0.0 105.421 176.641 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.386 0 N-CA-C 117.763 2.505 . . . . 0.0 117.763 -176.52 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.776 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 103.866 -2.642 . . . . 0.0 103.866 177.033 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 CA-C-N 112.028 -2.351 . . . . 0.0 108.043 -179.318 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.304 0 N-CA-C 118.536 2.174 . . . . 0.0 118.536 -178.26 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 O-C-N 121.427 -1.043 . . . . 0.0 112.184 -179.652 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.661 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -177.132 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.862 0 CA-C-O 124.216 1.96 . . . . 0.0 110.043 -179.767 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.916 0 CA-C-N 113.418 -1.719 . . . . 0.0 108.435 -178.446 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 C--N 1.318 -0.468 0 CA-C-N 114.054 -1.43 . . . . 0.0 110.2 179.233 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 124.771 0.924 . . . . 0.0 110.004 179.944 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.249 1.03 0 CA-C-N 114.387 -1.278 . . . . 0.0 109.355 179.292 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.201 0 O-C-N 124.499 1.124 . . . . 0.0 110.201 178.86 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.846 0 N-CA-C 119.069 2.388 . . . . 0.0 119.069 -179.624 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.851 0 O-C-N 120.906 -1.349 . . . . 0.0 109.095 179.459 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 107.086 -1.45 . . . . 0.0 107.086 178.637 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.869 0 O-C-N 125.677 1.86 . . . . 0.0 110.271 179.153 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.306 0.574 . . . . 0.0 111.877 -179.195 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 115.727 -2.082 . . . . 0.0 108.785 -177.877 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.293 -1.884 0 O-C-N 127.264 2.853 . . . . 0.0 110.386 178.69 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 117.671 -1.157 . . . . 0.0 109.584 -179.703 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 O-C-N 128.123 3.39 . . . . 0.0 112.827 -177.731 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.252 1.219 0 O-C-N 125.151 1.532 . . . . 0.0 111.751 -178.042 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 123.875 0.87 . . . . 0.0 110.183 178.28 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.292 -1.893 0 N-CA-C 118.078 2.622 . . . . 0.0 118.078 175.675 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.035 0 C-N-CA 124.067 0.947 . . . . 0.0 109.05 177.521 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 127.433 2.958 . . . . 0.0 111.38 -177.966 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.388 0 C-N-CA 129.945 3.298 . . . . 0.0 108.987 178.311 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.954 0 O-C-N 126.8 2.562 . . . . 0.0 113.732 -178.113 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 115.306 1.595 . . . . 0.0 115.306 -178.436 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 124.711 1.257 . . . . 0.0 109.97 178.528 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.303 -1.433 0 C-N-CA 124.015 0.926 . . . . 0.0 109.18 179.048 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.879 0 C-N-CA 123.452 0.701 . . . . 0.0 112.71 -178.429 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-O 116.965 -1.493 . . . . 0.0 111.003 -177.832 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.665 0 CA-C-O 116.751 -1.595 . . . . 0.0 110.705 -176.982 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.162 0 CA-C-N 119.599 1.09 . . . . 0.0 112.863 -178.935 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 124.959 1.304 . . . . 0.0 111.709 -178.473 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 125.065 1.478 . . . . 0.0 108.283 -179.577 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 126.612 2.445 . . . . 0.0 111.612 -178.935 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.003 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.513 177.566 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 114.269 1.211 . . . . 0.0 114.269 -177.744 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 125.678 1.591 . . . . 0.0 111.251 177.393 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 C--O 1.243 0.671 0 O-C-N 121.307 -0.871 . . . . 0.0 114.252 -179.431 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.602 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 179.252 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 119.832 -1.792 . . . . 0.0 109.665 -179.364 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.919 0 N-CA-C 116.32 1.97 . . . . 0.0 116.32 -176.937 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 125.247 1.592 . . . . 0.0 110.289 -176.62 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 112.567 -2.106 . . . . 0.0 108.254 176.053 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 N-CA-C 104.493 -2.41 . . . . 0.0 104.493 178.491 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 125.425 1.703 . . . . 0.0 108.291 -177.663 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.278 0 O-C-N 125.905 2.003 . . . . 0.0 110.947 -175.562 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.474 -2.482 0 O-C-N 126.233 2.701 . . . . 0.0 115.048 -176.502 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.543 0 O-C-N 120.389 -1.445 . . . . 0.0 113.833 177.681 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.256 1.402 0 N-CA-C 115.633 1.716 . . . . 0.0 115.633 -177.024 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.263 1.805 0 CA-C-O 115.047 -2.406 . . . . 0.0 112.756 -178.707 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.628 0 CA-C-N 120.947 1.703 . . . . 0.0 114.812 -177.995 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.048 0 C-N-CA 127.023 2.129 . . . . 0.0 111.188 -179.504 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 O-C-N 126.307 2.255 . . . . 0.0 110.473 -179.746 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 125.341 1.457 . . . . 0.0 107.075 177.884 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.261 1.71 0 C-N-CA 126.557 1.943 . . . . 0.0 112.611 179.031 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.176 0 CA-C-N 113.18 -1.827 . . . . 0.0 111.468 -177.729 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.132 0 C-N-CA 123.825 0.85 . . . . 0.0 113.207 -179.076 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 104.168 -2.531 . . . . 0.0 104.168 177.464 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 104.834 -2.284 . . . . 0.0 104.834 178.664 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 128.468 3.605 . . . . 0.0 117.02 -175.627 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.582 4.275 0 N-CA-C 105.331 -3.107 . . . . 0.0 105.331 177.073 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.273 2.303 0 O-C-N 128.424 3.073 . . . . 0.0 106.548 179.737 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.83 0 C-N-CA 118.937 -1.105 . . . . 0.0 112.739 -177.639 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.769 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 177.541 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.244 0.794 0 CA-C-O 122.508 1.147 . . . . 0.0 108.032 176.431 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.294 0 C-N-CA 121.491 1.461 . . . . 0.0 111.908 -179.766 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 177.005 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 105.383 -2.08 . . . . 0.0 105.383 177.463 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 122.778 1.275 . . . . 0.0 110.072 -176.924 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.165 0 CA-C-N 112.663 -2.062 . . . . 0.0 112.76 179.465 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.237 0 CA-C-N 118.173 0.987 . . . . 0.0 110.756 179.581 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.918 0 O-C-N 123.485 1.255 . . . . 0.0 111.657 177.498 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.553 1.066 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 178.661 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.306 -1.326 0 O-C-N 126.882 2.614 . . . . 0.0 112.217 -178.778 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.725 0 N-CA-C 107.57 -1.742 . . . . 0.0 107.57 179.996 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.963 0 O-C-N 128.116 3.385 . . . . 0.0 103.031 -179.57 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.991 0 CA-C-O 115.988 -1.958 . . . . 0.0 108.826 179.726 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 C--N 1.293 -1.824 0 N-CA-C 104.11 -3.596 . . . . 0.0 104.11 -179.217 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.257 1.495 0 CA-C-O 115.643 -2.123 . . . . 0.0 109.48 -177.76 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.718 0 N-CA-C 103.685 -2.709 . . . . 0.0 103.685 -179.76 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.062 0 O-C-N 127.761 3.163 . . . . 0.0 113.502 -178.05 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 -177.901 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.951 0 O-C-N 126.288 2.243 . . . . 0.0 107.62 -179.286 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.137 -2.39 . . . . 0.0 110.271 -177.194 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.253 1.282 0 O-C-N 116.331 -3.981 . . . . 0.0 100.584 -179.248 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.266 0 CA-C-O 115.261 -2.058 . . . . 0.0 112.142 179.845 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.272 -2.775 0 CA-C-N 120.687 1.585 . . . . 0.0 109.564 177.802 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.274 2.382 0 CA-C-N 112.795 -2.002 . . . . 0.0 110.576 178.34 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.434 -1.271 0 O-C-N 120.967 -1.083 . . . . 0.0 110.388 178.595 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.556 1.183 0 O-C-N 125.801 1.938 . . . . 0.0 110.237 -178.302 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.072 0 O-C-N 127.059 2.724 . . . . 0.0 107.035 178.986 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.616 0 CA-C-O 122.183 0.992 . . . . 0.0 112.888 177.889 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.881 0 O-C-N 117.462 -3.274 . . . . 0.0 114.578 179.686 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.571 1.786 0 O-C-N 125.584 1.802 . . . . 0.0 108.17 179.508 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.572 1 O-C-N 129.225 4.078 . . . . 0.0 109.775 179.152 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 120.078 -1.639 . . . . 0.0 111.828 179.097 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 125.126 1.371 . . . . 0.0 112.763 178.723 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.29 -2.024 0 C-N-CA 128.027 2.727 . . . . 0.0 114.324 -178.365 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.274 0 C-N-CA 128.237 2.615 . . . . 0.0 111.527 -179.42 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 C-N-CA 117.582 -1.647 . . . . 0.0 107.41 179.661 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.287 -2.131 0 CA-C-O 117.24 -1.362 . . . . 0.0 108.986 179.886 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.34 0 C-N-CA 122.866 2.377 . . . . 0.0 111.742 179.118 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.249 1.036 0 O-C-N 118.644 -2.535 . . . . 0.0 115.666 -177.476 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.311 -1.071 0 C-N-CA 126.637 1.975 . . . . 0.0 110.932 -177.55 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.506 -0.896 0 C-N-CA 123.445 2.764 . . . . 0.0 115.448 175.994 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.706 0 CA-C-N 121.315 1.871 . . . . 0.0 113.412 178.034 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 124.976 1.31 . . . . 0.0 107.987 -179.95 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.822 0 C-N-CA 119.054 -1.059 . . . . 0.0 109.794 179.078 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.633 -0.667 . . . . 0.0 109.341 179.084 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 114.218 -1.356 . . . . 0.0 109.73 179.841 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 119.576 1.08 . . . . 0.0 111.977 -177.972 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-O 117.09 -1.433 . . . . 0.0 111.86 -178.009 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 115.019 1.489 . . . . 0.0 115.019 -178.951 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.256 1.447 0 CA-C-N 114.587 -1.188 . . . . 0.0 109.173 179.749 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-O 124.894 2.283 . . . . 0.0 109.441 178.335 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.028 0 CA-C-N 112.744 -2.025 . . . . 0.0 111.295 178.786 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.297 -1.704 0 CA-C-N 121.107 1.776 . . . . 0.0 112.761 179.852 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.253 1.287 0 CA-C-O 118.449 -0.786 . . . . 0.0 112.289 -176.299 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 O-C-N 124.102 0.876 . . . . 0.0 109.08 -179.327 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-O 115.203 -2.332 . . . . 0.0 110.911 -178.147 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.307 -1.255 0 O-C-N 127.564 3.04 . . . . 0.0 111.061 178.94 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.767 0 C-N-CA 127.34 2.256 . . . . 0.0 113.795 -177.156 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 125.947 2.029 . . . . 0.0 112.212 -179.944 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.392 0 CA-C-N 121.293 1.86 . . . . 0.0 114.823 179.866 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.56 0 C-N-CA 124.843 1.257 . . . . 0.0 111.424 179.535 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 107.168 -1.419 . . . . 0.0 107.168 178.943 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 178.23 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 O-C-N 124.84 1.338 . . . . 0.0 110.013 -178.642 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-N 113.676 -1.602 . . . . 0.0 111.04 178.344 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 127.17 2.188 . . . . 0.0 112.526 -178.566 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 113.736 -1.575 . . . . 0.0 111.961 179.784 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.678 0 CA-C-O 116.767 -1.587 . . . . 0.0 111.689 -178.287 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 126.496 2.373 . . . . 0.0 107.556 178.86 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.056 0 C-N-CA 126.401 1.881 . . . . 0.0 113.133 179.258 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.116 -0.947 . . . . 0.0 109.633 -179.186 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.189 0 O-C-N 124.436 1.085 . . . . 0.0 108.228 178.131 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-O 116.583 -1.675 . . . . 0.0 112.12 179.065 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.535 0 N-CA-C 115.891 1.812 . . . . 0.0 115.891 -179.736 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 O-C-N 124.479 1.112 . . . . 0.0 111.118 -177.921 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.124 0 O-C-N 125.454 1.721 . . . . 0.0 111.379 -178.681 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.078 0 C-N-CA 127.281 2.232 . . . . 0.0 107.441 179.154 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 500' ' ' MXT . . . . . 1.227 H122 ' CA ' ' A' ' 41' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 600' ' ' MXT . . . . . 0.688 H231 ' O11' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.642 ' O ' ' O11' ' A' ' 500' ' ' MXT . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.466 ' C ' H122 ' A' ' 500' ' ' MXT . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.706 ' N ' H122 ' A' ' 500' ' ' MXT . 0.5 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 1.055 ' N ' H121 ' A' ' 500' ' ' MXT . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.506 2.33 0 O-C-N 125.664 1.852 . . . . 0.0 106.847 169.4 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.702 1 O-C-N 129.176 4.25 . . . . 0.0 107.973 -172.997 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.898 0 CA-C-N 121.041 1.746 . . . . 0.0 112.64 179.907 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.502 2.164 0 CA-C-N 114.262 -1.335 . . . . 0.0 110.941 177.64 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.171 0 C-N-CA 126.989 2.116 . . . . 0.0 110.219 -178.243 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.454 0 O-C-N 120.825 -1.172 . . . . 0.0 109.829 -176.595 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.582 0 N-CA-C 105.965 -1.865 . . . . 0.0 105.965 -179.703 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 127.137 2.773 . . . . 0.0 107.838 -178.786 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.572 1.789 0 CA-C-O 115.422 -2.227 . . . . 0.0 106.412 178.537 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.529 1 O-C-N 130.737 5.023 . . . . 0.0 106.332 179.541 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.132 0 CA-C-O 113.73 -3.033 . . . . 0.0 105.886 -179.85 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-N 121.132 1.787 . . . . 0.0 110.01 -177.779 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.294 -1.818 0 O-C-N 125.898 1.999 . . . . 0.0 105.8 -176.591 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.254 1.336 0 O-C-N 127.49 2.994 . . . . 0.0 112.718 -176.342 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.972 0 O-C-N 127.24 2.838 . . . . 0.0 112.252 177.677 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.314 -0.955 0 O-C-N 119.025 -2.297 . . . . 0.0 111.893 -179.66 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.331 -0.222 0 O-C-N 126.715 2.509 . . . . 0.0 109.74 -174.897 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.752 0 C-N-CA 124.679 3.586 . . . . 0.0 111.953 179.71 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.845 0 CA-C-N 111.747 -2.479 . . . . 0.0 106.789 179.127 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.255 0 O-C-N 127.501 3.369 . . . . 0.0 107.932 178.999 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.509 0 C-N-CA 121.835 1.69 . . . . 0.0 108.298 178.904 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.428 -1.574 0 O-C-N 127.08 2.737 . . . . 0.0 112.137 179.982 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.996 0 C-N-CA 126.749 2.02 . . . . 0.0 114.916 -174.498 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.57 1.722 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 175.025 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 124.921 1.388 . . . . 0.0 113.64 -175.827 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.435 0 CA-C-O 117.413 -1.28 . . . . 0.0 112.767 -179.399 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.253 1.277 0 CA-C-N 121.772 2.078 . . . . 0.0 114.959 179.552 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.465 0 C-N-CA 122.156 1.904 . . . . 0.0 113.303 178.099 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.292 -1.895 0 C-N-CA 129.762 3.225 . . . . 0.0 112.306 178.896 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.313 -1.019 0 O-C-N 119.387 -2.07 . . . . 0.0 109.531 177.957 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.559 1.318 0 CA-C-O 115.559 -2.162 . . . . 0.0 109.25 179.672 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 127.404 2.94 . . . . 0.0 109.357 179.626 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.253 1.25 0 O-C-N 120.312 -1.493 . . . . 0.0 112.859 177.2 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 122.047 0.927 . . . . 0.0 113.325 179.03 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.241 0 C-N-CA 126.484 1.914 . . . . 0.0 109.26 179.741 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 125.099 1.499 . . . . 0.0 110.264 175.835 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.269 2.111 0 C-N-CA 127.091 2.156 . . . . 0.0 114.576 178.805 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.545 1.943 0 CA-C-O 117.134 -1.926 . . . . 0.0 112.386 178.458 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-N 118.153 0.976 . . . . 0.0 108.488 179.304 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 176.068 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.934 0 C-N-CA 123.903 0.881 . . . . 0.0 112.882 -179.504 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.475 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 -175.526 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.095 0 C-N-CA 125.086 1.354 . . . . 0.0 108.15 175.036 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 177.264 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.931 0 CA-C-N 114.295 -1.321 . . . . 0.0 110.126 -179.913 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-O 116.004 -1.951 . . . . 0.0 112.315 178.853 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.278 -2.538 0 N-CA-C 116.565 2.061 . . . . 0.0 116.565 -174.884 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.599 0 CA-C-O 122.759 1.266 . . . . 0.0 112.297 -178.969 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 122.34 2.027 . . . . 0.0 115.13 -179.564 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 177.615 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.42 0 N-CA-C 115.176 1.546 . . . . 0.0 115.176 178.388 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.105 0 O-C-N 118.347 -2.721 . . . . 0.0 114.673 -179.103 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.324 0 N-CA-C 115.952 1.834 . . . . 0.0 115.952 179.653 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.058 0 CA-C-N 120.316 1.148 . . . . 0.0 114.882 -179.607 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.272 1.029 . . . . 0.0 112.041 179.85 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 O-C-N 125.044 1.465 . . . . 0.0 111.467 -179.777 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.255 1.36 0 N-CA-C 116.929 2.196 . . . . 0.0 116.929 179.132 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 127.616 2.366 . . . . 0.0 115.558 -178.102 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.857 0 N-CA-C 117.129 2.27 . . . . 0.0 117.129 -178.52 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.482 -1.994 0 CA-C-O 115.697 -2.724 . . . . 0.0 118.838 177.676 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.971 0 CA-C-N 124.147 3.973 . . . . 0.0 111.384 179.701 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-O 115.656 -2.116 . . . . 0.0 106.263 177.51 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.505 0 O-C-N 125.516 1.76 . . . . 0.0 107.615 -178.974 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.479 0 O-C-N 125.77 1.919 . . . . 0.0 111.514 -179.681 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-O 122.086 0.946 . . . . 0.0 110.733 179.388 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.248 1.011 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 -179.901 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.266 1.955 0 O-C-N 125.989 2.056 . . . . 0.0 116.221 -179.843 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.81 0 CA-C-O 117.897 -1.049 . . . . 0.0 112.576 -178.287 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 1.981 0 N-CA-C 107.809 -2.116 . . . . 0.0 107.809 -178.397 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 125.308 2.48 . . . . 0.0 112.655 -177.787 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.86 0 CA-C-N 110.94 -2.846 . . . . 0.0 110.403 179.231 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.314 -0.967 0 O-C-N 126.389 2.305 . . . . 0.0 105.433 176.602 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.409 0 N-CA-C 117.791 2.515 . . . . 0.0 117.791 -176.582 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 178.755 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 103.825 -2.658 . . . . 0.0 103.825 177.062 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 CA-C-N 112.036 -2.347 . . . . 0.0 108.08 -179.357 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.303 0 N-CA-C 118.524 2.17 . . . . 0.0 118.524 -178.22 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.241 0.652 0 O-C-N 121.46 -1.023 . . . . 0.0 112.248 -179.669 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.668 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 -177.173 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.866 0 CA-C-O 124.246 1.974 . . . . 0.0 110.008 -179.741 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.245 0.845 0 CA-C-N 113.385 -1.734 . . . . 0.0 108.407 -178.392 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 C--N 1.318 -0.441 0 CA-C-N 114.02 -1.445 . . . . 0.0 110.194 179.279 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 124.843 0.966 . . . . 0.0 110.017 179.912 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.984 0 CA-C-N 114.347 -1.297 . . . . 0.0 109.368 179.296 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.216 0 O-C-N 124.556 1.16 . . . . 0.0 110.214 178.867 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.31 -0.864 0 N-CA-C 119.041 2.376 . . . . 0.0 119.041 -179.659 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.822 0 O-C-N 120.851 -1.382 . . . . 0.0 109.028 179.508 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 107.07 -1.455 . . . . 0.0 107.07 178.626 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.889 0 O-C-N 125.707 1.88 . . . . 0.0 110.272 179.142 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.339 0.59 . . . . 0.0 111.894 -179.183 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 115.736 -2.078 . . . . 0.0 108.863 -177.965 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.293 -1.863 0 O-C-N 127.248 2.842 . . . . 0.0 110.402 178.681 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 N--CA 1.44 -0.94 0 CA-C-O 117.675 -1.155 . . . . 0.0 109.598 -179.694 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 O-C-N 128.134 3.396 . . . . 0.0 112.826 -177.709 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.249 0 O-C-N 125.12 1.513 . . . . 0.0 111.728 -178.089 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 123.887 0.875 . . . . 0.0 110.181 178.264 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.292 -1.926 0 N-CA-C 118.058 2.614 . . . . 0.0 118.058 175.704 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.041 0 C-N-CA 124.085 0.954 . . . . 0.0 109.099 177.541 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 127.448 2.968 . . . . 0.0 111.374 -177.96 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.305 -1.364 0 C-N-CA 129.975 3.31 . . . . 0.0 108.915 178.38 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.246 0.916 0 O-C-N 126.771 2.544 . . . . 0.0 113.733 -178.132 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 115.256 1.576 . . . . 0.0 115.256 -178.362 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 124.744 1.277 . . . . 0.0 109.943 178.584 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.303 -1.441 0 C-N-CA 124.014 0.925 . . . . 0.0 109.195 179.004 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.315 -0.903 0 C-N-CA 123.495 0.718 . . . . 0.0 112.678 -178.405 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-O 116.979 -1.486 . . . . 0.0 110.973 -177.813 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 CA-C-O 116.737 -1.601 . . . . 0.0 110.676 -176.953 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.164 0 CA-C-N 119.607 1.094 . . . . 0.0 112.875 -178.913 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 124.961 1.305 . . . . 0.0 111.697 -178.477 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 125.045 1.466 . . . . 0.0 108.273 -179.588 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 126.567 2.417 . . . . 0.0 111.617 -178.909 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.249 1.029 0 C-N-CA 120.134 -0.626 . . . . 0.0 110.505 177.559 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 -177.758 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.3 -1.564 0 C-N-CA 125.676 1.591 . . . . 0.0 111.232 177.38 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.466 0.67 0 O-C-N 121.309 -0.869 . . . . 0.0 114.247 -179.408 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 113.318 0.858 . . . . 0.0 113.318 179.173 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 119.857 -1.777 . . . . 0.0 109.7 -179.398 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.44 -0.938 0 N-CA-C 116.349 1.981 . . . . 0.0 116.349 -176.932 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 125.26 1.6 . . . . 0.0 110.339 -176.681 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 112.552 -2.113 . . . . 0.0 108.322 176.016 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 N-CA-C 104.475 -2.417 . . . . 0.0 104.475 178.52 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 125.372 1.67 . . . . 0.0 108.278 -177.707 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.283 0 O-C-N 125.893 1.996 . . . . 0.0 110.988 -175.545 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.441 0 O-C-N 126.269 2.721 . . . . 0.0 115.025 -176.493 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.259 1.562 0 O-C-N 120.401 -1.437 . . . . 0.0 113.801 177.688 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.377 0 N-CA-C 115.621 1.711 . . . . 0.0 115.621 -176.969 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.264 1.829 0 CA-C-O 115.059 -2.401 . . . . 0.0 112.791 -178.709 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.609 0 CA-C-N 120.942 1.701 . . . . 0.0 114.835 -178.019 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.058 0 C-N-CA 127.049 2.14 . . . . 0.0 111.19 -179.54 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 O-C-N 126.249 2.218 . . . . 0.0 110.502 -179.787 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 125.388 1.475 . . . . 0.0 107.05 177.918 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.744 0 C-N-CA 126.523 1.929 . . . . 0.0 112.665 178.977 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.177 0 CA-C-N 113.192 -1.822 . . . . 0.0 111.43 -177.726 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.146 0 C-N-CA 123.829 0.851 . . . . 0.0 113.156 -179.11 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 104.151 -2.537 . . . . 0.0 104.151 177.469 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 104.81 -2.293 . . . . 0.0 104.81 178.669 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 128.576 3.673 . . . . 0.0 116.956 -175.632 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.312 0 N-CA-C 105.334 -3.106 . . . . 0.0 105.334 177.091 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.382 0 O-C-N 128.488 3.111 . . . . 0.0 106.518 179.824 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.832 0 C-N-CA 118.926 -1.11 . . . . 0.0 112.71 -177.645 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 177.495 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.824 0 CA-C-O 122.468 1.127 . . . . 0.0 108.093 176.44 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.281 0 C-N-CA 121.561 1.507 . . . . 0.0 111.842 -179.717 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 176.982 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 105.369 -2.086 . . . . 0.0 105.369 177.453 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 122.807 1.289 . . . . 0.0 110.087 -176.885 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.25 1.109 0 CA-C-N 112.718 -2.037 . . . . 0.0 112.768 178.986 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.23 0 CA-C-N 118.165 0.982 . . . . 0.0 110.796 179.95 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.928 0 O-C-N 123.517 1.272 . . . . 0.0 111.608 177.277 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 103.165 -2.902 . . . . 0.0 103.165 178.526 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.306 -1.32 0 O-C-N 126.877 2.61 . . . . 0.0 112.254 -179.105 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.44 -1.671 0 N-CA-C 107.564 -1.745 . . . . 0.0 107.564 -179.561 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.954 0 O-C-N 128.111 3.382 . . . . 0.0 103.013 179.923 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.266 1.925 0 CA-C-O 115.992 -1.956 . . . . 0.0 108.795 179.426 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.816 0 N-CA-C 104.096 -3.602 . . . . 0.0 104.096 -178.563 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.506 0 CA-C-O 115.71 -2.091 . . . . 0.0 109.498 -179.997 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.732 0 N-CA-C 103.716 -2.698 . . . . 0.0 103.716 -176.115 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.496 -1.1 0 O-C-N 127.751 3.157 . . . . 0.0 113.528 -178.842 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 106.294 -1.743 . . . . 0.0 106.294 -177.958 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.501 2.989 0 O-C-N 126.279 2.237 . . . . 0.0 107.587 -178.806 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 120.7 -1.471 . . . . 0.0 110.271 179.92 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.306 0 N-CA-C 100.616 -3.846 . . . . 0.0 100.616 -176.686 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.445 -1.33 0 CA-C-O 115.24 -2.067 . . . . 0.0 112.121 177.973 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.808 0 CA-C-N 120.707 1.594 . . . . 0.0 109.525 177.817 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.276 2.47 0 CA-C-N 112.855 -1.975 . . . . 0.0 110.603 178.334 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.308 0 O-C-N 120.9 -1.125 . . . . 0.0 110.446 178.551 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.172 0 O-C-N 125.798 1.936 . . . . 0.0 110.247 -178.354 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.081 0 O-C-N 127.069 2.731 . . . . 0.0 107.052 178.961 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.632 0 CA-C-O 122.222 1.01 . . . . 0.0 112.937 177.859 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.892 0 O-C-N 117.458 -3.276 . . . . 0.0 114.59 179.72 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.571 1.767 0 O-C-N 125.594 1.809 . . . . 0.0 108.159 179.451 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.299 -1.598 1 O-C-N 129.232 4.082 . . . . 0.0 109.744 179.222 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 120.005 -1.685 . . . . 0.0 111.901 179.032 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 125.129 1.372 . . . . 0.0 112.756 178.754 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.032 0 C-N-CA 128.013 2.721 . . . . 0.0 114.325 -178.322 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.288 0 C-N-CA 128.286 2.635 . . . . 0.0 111.516 -179.787 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 C-N-CA 117.603 -1.639 . . . . 0.0 107.372 178.685 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.287 -2.13 0 CA-C-O 117.257 -1.354 . . . . 0.0 109.022 -179.21 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.317 0 C-N-CA 122.859 2.373 . . . . 0.0 111.724 177.665 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.249 1.027 0 O-C-N 118.622 -2.549 . . . . 0.0 115.685 -178.716 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.037 0 C-N-CA 126.648 1.979 . . . . 0.0 110.952 -178.175 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.506 -0.908 0 C-N-CA 123.413 2.742 . . . . 0.0 115.47 177.124 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 121.307 1.867 . . . . 0.0 113.436 178.018 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 125.003 1.321 . . . . 0.0 108.014 -179.97 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.856 0 C-N-CA 119.002 -1.079 . . . . 0.0 109.803 179.08 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.647 -0.658 . . . . 0.0 109.303 179.106 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-N 114.23 -1.35 . . . . 0.0 109.764 179.829 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.295 0 CA-C-N 119.578 1.081 . . . . 0.0 111.963 -177.988 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-O 117.107 -1.425 . . . . 0.0 111.838 -178.043 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 115.043 1.497 . . . . 0.0 115.043 -178.935 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.482 0 CA-C-N 114.549 -1.205 . . . . 0.0 109.13 179.772 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-O 124.899 2.285 . . . . 0.0 109.426 178.322 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.037 0 CA-C-N 112.729 -2.032 . . . . 0.0 111.29 178.774 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.76 0 CA-C-N 121.158 1.799 . . . . 0.0 112.764 179.875 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.253 1.287 0 CA-C-O 118.442 -0.79 . . . . 0.0 112.294 -176.322 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 O-C-N 124.104 0.877 . . . . 0.0 109.112 -179.349 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-O 115.238 -2.315 . . . . 0.0 110.913 -178.149 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.202 0 O-C-N 127.54 3.025 . . . . 0.0 111.068 178.951 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.294 -1.834 0 C-N-CA 127.391 2.276 . . . . 0.0 113.773 -177.17 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 126.02 2.075 . . . . 0.0 112.223 -179.964 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.255 1.413 0 CA-C-N 121.328 1.876 . . . . 0.0 114.811 179.85 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.554 0 C-N-CA 124.776 1.23 . . . . 0.0 111.409 179.56 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 178.954 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 178.22 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 O-C-N 124.836 1.335 . . . . 0.0 110.002 -178.662 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 113.68 -1.6 . . . . 0.0 111.0 178.353 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.522 0 C-N-CA 127.131 2.172 . . . . 0.0 112.585 -178.61 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 113.673 -1.603 . . . . 0.0 111.977 179.752 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-O 116.742 -1.599 . . . . 0.0 111.695 -178.308 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 126.491 2.369 . . . . 0.0 107.561 178.851 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.07 0 C-N-CA 126.412 1.885 . . . . 0.0 113.149 179.264 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.651 -179.216 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.194 0 O-C-N 124.423 1.077 . . . . 0.0 108.22 178.117 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-O 116.538 -1.696 . . . . 0.0 112.117 179.039 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.503 0 N-CA-C 115.901 1.815 . . . . 0.0 115.901 -179.761 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 O-C-N 124.479 1.112 . . . . 0.0 111.072 -177.875 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.144 0 O-C-N 125.446 1.717 . . . . 0.0 111.348 -178.641 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.047 0 C-N-CA 127.268 2.227 . . . . 0.0 107.463 179.118 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 500' ' ' MXT . . . . . 1.055 H121 ' N ' ' A' ' 42' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 600' ' ' MXT . . . . . 0.883 H231 ' O11' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.571 ' O ' H121 ' A' ' 500' ' ' MXT . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.513 ' C ' H121 ' A' ' 500' ' ' MXT . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.752 ' H ' H122 ' A' ' 500' ' ' MXT . 1.8 m -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.317 0 O-C-N 125.664 1.852 . . . . 0.0 106.83 168.912 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.751 1 O-C-N 129.167 4.246 . . . . 0.0 107.997 -175.252 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.93 0 CA-C-N 121.038 1.744 . . . . 0.0 112.655 -178.031 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.211 0 CA-C-N 114.254 -1.339 . . . . 0.0 110.944 -177.489 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.213 0 C-N-CA 126.978 2.111 . . . . 0.0 110.247 -177.875 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.481 0 O-C-N 120.857 -1.152 . . . . 0.0 109.836 179.402 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.26 1.608 0 N-CA-C 105.953 -1.869 . . . . 0.0 105.953 -177.184 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 127.105 2.753 . . . . 0.0 107.79 179.388 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.769 0 CA-C-O 115.503 -2.189 . . . . 0.0 106.393 178.684 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.544 1 O-C-N 130.664 4.978 . . . . 0.0 106.28 177.869 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.158 0 CA-C-O 113.752 -3.023 . . . . 0.0 105.856 -179.838 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-N 121.12 1.782 . . . . 0.0 109.994 -177.787 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 125.869 1.98 . . . . 0.0 105.768 -176.598 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.377 0 O-C-N 127.497 2.998 . . . . 0.0 112.732 -176.367 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.936 0 O-C-N 127.206 2.816 . . . . 0.0 112.254 177.657 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.314 -0.954 0 O-C-N 119.079 -2.263 . . . . 0.0 111.899 -179.659 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.331 -0.206 0 O-C-N 126.625 2.453 . . . . 0.0 109.732 -174.897 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.719 0 C-N-CA 124.686 3.591 . . . . 0.0 111.901 179.756 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.869 0 CA-C-N 111.711 -2.495 . . . . 0.0 106.74 179.185 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.244 0 O-C-N 127.508 3.373 . . . . 0.0 107.888 178.997 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.329 -0.474 0 CA-C-O 116.169 -1.68 . . . . 0.0 108.319 178.844 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.428 -1.56 0 O-C-N 127.093 2.746 . . . . 0.0 112.134 179.937 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.979 0 C-N-CA 126.776 2.03 . . . . 0.0 114.926 -174.477 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.687 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 175.021 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.29 0 O-C-N 124.917 1.386 . . . . 0.0 113.654 -175.782 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.417 0 CA-C-O 117.439 -1.267 . . . . 0.0 112.783 -179.422 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.253 1.289 0 CA-C-N 121.724 2.056 . . . . 0.0 115.002 179.532 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.476 0 C-N-CA 122.203 1.935 . . . . 0.0 113.325 178.061 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.877 0 C-N-CA 129.781 3.232 . . . . 0.0 112.292 178.817 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.052 0 O-C-N 119.455 -2.028 . . . . 0.0 109.535 178.02 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.351 0 CA-C-O 115.565 -2.16 . . . . 0.0 109.175 179.745 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 127.366 2.916 . . . . 0.0 109.385 179.599 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.234 0 O-C-N 120.241 -1.537 . . . . 0.0 112.888 177.191 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 122.052 0.93 . . . . 0.0 113.302 179.041 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.306 -1.293 0 C-N-CA 126.51 1.924 . . . . 0.0 109.259 179.751 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.776 0 O-C-N 125.121 1.513 . . . . 0.0 110.228 175.892 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.161 0 C-N-CA 127.08 2.152 . . . . 0.0 114.566 178.857 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.01 0 CA-C-O 117.083 -1.954 . . . . 0.0 112.343 178.46 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 118.167 0.984 . . . . 0.0 108.496 179.288 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 176.036 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.953 0 C-N-CA 123.935 0.894 . . . . 0.0 112.873 -179.548 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.458 0 N-CA-C 114.983 1.475 . . . . 0.0 114.983 -175.567 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.071 0 C-N-CA 125.068 1.347 . . . . 0.0 108.135 175.09 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 177.252 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.934 0 CA-C-N 114.33 -1.305 . . . . 0.0 110.117 -179.907 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-O 115.974 -1.965 . . . . 0.0 112.285 178.837 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.278 -2.542 0 N-CA-C 116.571 2.063 . . . . 0.0 116.571 -174.861 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.565 0 CA-C-O 122.75 1.262 . . . . 0.0 112.271 -178.902 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 122.352 2.035 . . . . 0.0 115.151 -179.573 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 177.638 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.422 0 N-CA-C 115.191 1.552 . . . . 0.0 115.191 178.3 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.111 0 O-C-N 118.284 -2.76 . . . . 0.0 114.605 -179.061 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.311 0 N-CA-C 115.956 1.836 . . . . 0.0 115.956 179.688 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.054 0 CA-C-N 120.244 1.123 . . . . 0.0 114.866 -179.636 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.252 1.021 . . . . 0.0 112.026 179.893 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 O-C-N 125.123 1.514 . . . . 0.0 111.492 -179.742 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.255 1.368 0 N-CA-C 116.905 2.187 . . . . 0.0 116.905 179.116 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 127.654 2.381 . . . . 0.0 115.572 -178.09 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.246 0.877 0 N-CA-C 117.113 2.264 . . . . 0.0 117.113 -178.542 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.482 -2.021 0 CA-C-O 115.651 -2.749 . . . . 0.0 118.826 177.66 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.29 -1.99 0 CA-C-N 124.183 3.992 . . . . 0.0 111.371 179.701 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-O 115.655 -2.117 . . . . 0.0 106.283 177.455 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.302 -1.482 0 O-C-N 125.471 1.732 . . . . 0.0 107.647 -178.964 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.484 0 O-C-N 125.743 1.902 . . . . 0.0 111.524 -179.681 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-O 122.089 0.947 . . . . 0.0 110.757 179.419 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.25 1.081 0 N-CA-C 106.763 -1.569 . . . . 0.0 106.763 -179.892 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.266 1.964 0 O-C-N 126.059 2.099 . . . . 0.0 116.221 -179.789 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.794 0 CA-C-O 117.881 -1.057 . . . . 0.0 112.545 -178.237 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.485 1.915 0 N-CA-C 107.827 -2.109 . . . . 0.0 107.827 -178.41 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 125.32 2.486 . . . . 0.0 112.695 -177.811 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.827 0 CA-C-N 110.896 -2.866 . . . . 0.0 110.388 179.219 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -0.989 0 O-C-N 126.354 2.284 . . . . 0.0 105.427 176.595 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.385 0 N-CA-C 117.832 2.53 . . . . 0.0 117.832 -176.562 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 178.805 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 103.829 -2.656 . . . . 0.0 103.829 177.024 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 CA-C-N 111.964 -2.38 . . . . 0.0 108.038 -179.335 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.34 0 N-CA-C 118.55 2.18 . . . . 0.0 118.55 -178.252 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.243 0.712 0 O-C-N 121.506 -0.997 . . . . 0.0 112.24 -179.651 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.65 0 O-C-N 123.666 0.604 . . . . 0.0 112.592 -177.142 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.863 0 CA-C-O 124.253 1.977 . . . . 0.0 110.059 -179.806 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.878 0 CA-C-N 113.445 -1.707 . . . . 0.0 108.351 -178.355 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.462 0.423 0 CA-C-N 114.03 -1.441 . . . . 0.0 110.209 179.306 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 124.82 0.953 . . . . 0.0 109.967 179.95 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 1.008 0 CA-C-N 114.41 -1.268 . . . . 0.0 109.337 179.315 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.204 0 O-C-N 124.492 1.12 . . . . 0.0 110.149 178.876 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.858 0 N-CA-C 119.025 2.37 . . . . 0.0 119.025 -179.603 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.843 0 O-C-N 120.915 -1.344 . . . . 0.0 109.086 179.509 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 178.632 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.266 1.943 0 O-C-N 125.686 1.866 . . . . 0.0 110.212 179.14 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.357 0.599 . . . . 0.0 111.903 -179.161 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 115.691 -2.099 . . . . 0.0 108.764 -177.879 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.92 0 O-C-N 127.267 2.854 . . . . 0.0 110.332 178.75 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 117.643 -1.17 . . . . 0.0 109.537 -179.67 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 O-C-N 128.13 3.393 . . . . 0.0 112.808 -177.68 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.269 0 O-C-N 125.091 1.494 . . . . 0.0 111.716 -178.036 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 123.936 0.894 . . . . 0.0 110.175 178.25 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 118.018 2.599 . . . . 0.0 118.018 175.707 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.042 0 C-N-CA 124.081 0.952 . . . . 0.0 109.077 177.505 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 127.447 2.967 . . . . 0.0 111.366 -177.947 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 129.945 3.298 . . . . 0.0 108.994 178.301 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.246 0.876 0 O-C-N 126.823 2.577 . . . . 0.0 113.765 -178.139 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 115.297 1.591 . . . . 0.0 115.297 -178.418 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 124.749 1.281 . . . . 0.0 109.929 178.544 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 124.062 0.945 . . . . 0.0 109.225 179.026 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.89 0 C-N-CA 123.505 0.722 . . . . 0.0 112.672 -178.457 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-O 117.051 -1.452 . . . . 0.0 111.01 -177.813 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 CA-C-O 116.78 -1.581 . . . . 0.0 110.665 -176.925 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.172 0 CA-C-N 119.539 1.063 . . . . 0.0 112.858 -178.839 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 124.967 1.307 . . . . 0.0 111.655 -178.469 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 125.015 1.447 . . . . 0.0 108.244 -179.543 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 126.567 2.417 . . . . 0.0 111.634 -178.917 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 0.998 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.517 177.544 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 114.347 1.24 . . . . 0.0 114.347 -177.761 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.508 0 C-N-CA 125.648 1.579 . . . . 0.0 111.232 177.391 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 C--O 1.243 0.691 0 O-C-N 121.275 -0.891 . . . . 0.0 114.263 -179.406 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.601 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 179.237 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 119.838 -1.789 . . . . 0.0 109.636 -179.342 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.876 0 N-CA-C 116.314 1.968 . . . . 0.0 116.314 -176.929 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 125.295 1.622 . . . . 0.0 110.304 -176.642 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 112.564 -2.107 . . . . 0.0 108.295 176.073 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 N-CA-C 104.496 -2.409 . . . . 0.0 104.496 178.489 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 125.418 1.699 . . . . 0.0 108.294 -177.658 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.302 -1.315 0 O-C-N 125.917 2.011 . . . . 0.0 111.001 -175.57 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.46 0 O-C-N 126.237 2.704 . . . . 0.0 115.035 -176.473 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.259 1.574 0 O-C-N 120.399 -1.438 . . . . 0.0 113.854 177.651 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.388 0 N-CA-C 115.6 1.704 . . . . 0.0 115.6 -176.976 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.263 1.81 0 CA-C-O 115.113 -2.375 . . . . 0.0 112.772 -178.705 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.629 0 CA-C-N 120.935 1.698 . . . . 0.0 114.825 -177.974 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.311 -1.072 0 C-N-CA 127.057 2.143 . . . . 0.0 111.182 -179.532 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 O-C-N 126.208 2.192 . . . . 0.0 110.481 -179.737 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 107.029 -1.471 . . . . 0.0 107.029 177.893 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.717 0 C-N-CA 126.546 1.938 . . . . 0.0 112.648 178.995 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.167 0 CA-C-N 113.169 -1.832 . . . . 0.0 111.445 -177.706 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.11 0 C-N-CA 123.801 0.84 . . . . 0.0 113.156 -179.094 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 N-CA-C 104.154 -2.535 . . . . 0.0 104.154 177.422 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 104.836 -2.283 . . . . 0.0 104.836 178.637 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 128.462 3.602 . . . . 0.0 117.027 -175.639 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.343 0 N-CA-C 105.338 -3.105 . . . . 0.0 105.338 177.04 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.273 2.327 0 O-C-N 128.574 3.161 . . . . 0.0 106.494 179.798 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.847 0 C-N-CA 118.92 -1.112 . . . . 0.0 112.715 -177.621 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.764 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 177.565 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.823 0 CA-C-O 122.47 1.128 . . . . 0.0 108.089 176.456 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.313 0 C-N-CA 121.517 1.478 . . . . 0.0 111.895 -179.705 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 177.037 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 105.363 -2.088 . . . . 0.0 105.363 177.52 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 122.827 1.298 . . . . 0.0 110.132 -176.887 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.179 0 CA-C-N 112.692 -2.049 . . . . 0.0 112.797 179.067 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.223 0 CA-C-N 118.164 0.982 . . . . 0.0 110.758 179.706 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.453 -0.906 0 O-C-N 123.459 1.242 . . . . 0.0 111.634 177.048 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 103.212 -2.884 . . . . 0.0 103.212 178.589 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.335 0 O-C-N 126.853 2.595 . . . . 0.0 112.277 -178.847 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.44 -1.675 0 N-CA-C 107.575 -1.74 . . . . 0.0 107.575 -179.972 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.972 0 O-C-N 128.125 3.391 . . . . 0.0 103.038 179.87 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.996 0 CA-C-O 115.981 -1.961 . . . . 0.0 108.792 179.522 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.544 1.844 0 N-CA-C 104.055 -3.618 . . . . 0.0 104.055 -179.236 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.533 0 CA-C-O 115.691 -2.1 . . . . 0.0 109.489 -178.484 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.717 0 N-CA-C 103.725 -2.694 . . . . 0.0 103.725 -178.44 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.074 0 O-C-N 127.781 3.176 . . . . 0.0 113.529 -179.446 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 106.332 -1.729 . . . . 0.0 106.332 -177.519 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.948 0 O-C-N 126.292 2.245 . . . . 0.0 107.597 -179.558 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.036 -2.45 . . . . 0.0 110.271 -177.552 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.311 0 N-CA-C 100.59 -3.856 . . . . 0.0 100.59 -177.041 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.291 0 CA-C-O 115.24 -2.067 . . . . 0.0 112.08 179.01 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.272 -2.8 0 CA-C-N 120.748 1.613 . . . . 0.0 109.567 177.838 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.405 0 CA-C-N 112.858 -1.974 . . . . 0.0 110.573 178.276 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.309 0 O-C-N 120.954 -1.091 . . . . 0.0 110.38 178.592 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.139 0 O-C-N 125.782 1.926 . . . . 0.0 110.241 -178.357 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.101 0 O-C-N 127.018 2.699 . . . . 0.0 107.041 178.95 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.611 0 CA-C-O 122.243 1.02 . . . . 0.0 112.906 177.916 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.914 0 O-C-N 117.393 -3.317 . . . . 0.0 114.616 179.663 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.814 0 O-C-N 125.585 1.803 . . . . 0.0 108.155 179.477 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.579 1 O-C-N 129.254 4.097 . . . . 0.0 109.741 179.225 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 120.02 -1.675 . . . . 0.0 111.864 179.109 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.302 -1.469 0 C-N-CA 125.099 1.36 . . . . 0.0 112.784 178.698 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.061 0 C-N-CA 128.003 2.716 . . . . 0.0 114.286 -179.442 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.255 0 C-N-CA 128.276 2.63 . . . . 0.0 111.47 -178.523 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 C-N-CA 117.591 -1.643 . . . . 0.0 107.393 -179.771 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.097 0 CA-C-O 117.282 -1.342 . . . . 0.0 109.022 -179.924 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 N--CA 1.49 1.316 0 C-N-CA 122.852 2.368 . . . . 0.0 111.715 176.781 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.249 1.029 0 O-C-N 118.636 -2.54 . . . . 0.0 115.691 -177.149 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.313 -0.997 0 C-N-CA 126.596 1.958 . . . . 0.0 110.969 176.155 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.506 -0.908 0 C-N-CA 123.41 2.74 . . . . 0.0 115.499 178.013 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 121.305 1.866 . . . . 0.0 113.416 177.981 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 124.982 1.313 . . . . 0.0 108.028 -179.993 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.862 0 C-N-CA 119.035 -1.066 . . . . 0.0 109.706 179.11 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.62 -0.675 . . . . 0.0 109.317 179.106 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 114.238 -1.347 . . . . 0.0 109.745 179.834 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-N 119.593 1.088 . . . . 0.0 111.929 -177.984 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-O 117.12 -1.419 . . . . 0.0 111.881 -178.028 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 115.007 1.484 . . . . 0.0 115.007 -178.92 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.448 0 CA-C-N 114.548 -1.206 . . . . 0.0 109.149 179.812 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 124.892 2.282 . . . . 0.0 109.47 178.311 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.043 0 CA-C-N 112.707 -2.042 . . . . 0.0 111.318 178.71 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.295 -1.77 0 CA-C-N 121.184 1.811 . . . . 0.0 112.73 179.851 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.307 0 CA-C-O 118.426 -0.797 . . . . 0.0 112.219 -176.265 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 O-C-N 124.089 0.868 . . . . 0.0 109.149 -179.307 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-O 115.219 -2.324 . . . . 0.0 110.88 -178.111 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 127.589 3.056 . . . . 0.0 111.033 178.974 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.804 0 C-N-CA 127.4 2.28 . . . . 0.0 113.737 -177.118 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 126.019 2.074 . . . . 0.0 112.181 -179.9 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.255 1.418 0 CA-C-N 121.324 1.874 . . . . 0.0 114.797 179.8 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.258 1.522 0 C-N-CA 124.821 1.249 . . . . 0.0 111.446 179.523 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 178.98 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 107.289 -1.375 . . . . 0.0 107.289 178.162 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 O-C-N 124.819 1.324 . . . . 0.0 110.011 -178.628 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 113.661 -1.608 . . . . 0.0 111.018 178.336 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.525 0 C-N-CA 127.134 2.174 . . . . 0.0 112.514 -178.533 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 113.681 -1.599 . . . . 0.0 111.956 179.785 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.241 0.652 0 CA-C-O 116.777 -1.582 . . . . 0.0 111.679 -178.259 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 126.54 2.4 . . . . 0.0 107.555 178.863 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.063 0 C-N-CA 126.442 1.897 . . . . 0.0 113.15 179.255 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.616 -179.191 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-O 122.328 1.061 . . . . 0.0 108.252 178.118 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-O 116.562 -1.685 . . . . 0.0 112.1 179.027 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.534 0 N-CA-C 115.883 1.809 . . . . 0.0 115.883 -179.71 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 O-C-N 124.449 1.093 . . . . 0.0 111.141 -177.967 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.117 0 O-C-N 125.491 1.745 . . . . 0.0 111.381 -178.63 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.044 0 C-N-CA 127.268 2.227 . . . . 0.0 107.469 179.102 . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 500' ' ' MXT . . . . . 0.896 H231 ' O11' ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 600' ' ' MXT . . . . . 0.749 H231 ' O12' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.32 0 O-C-N 125.664 1.852 . . . . 0.0 106.85 174.201 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.731 1 O-C-N 129.197 4.262 . . . . 0.0 107.991 -178.177 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.929 0 CA-C-N 121.037 1.744 . . . . 0.0 112.638 -178.095 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.188 0 CA-C-N 114.222 -1.354 . . . . 0.0 110.898 -179.545 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 C-N-CA 126.955 2.102 . . . . 0.0 110.23 -178.357 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.468 0 O-C-N 120.901 -1.125 . . . . 0.0 109.818 179.866 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.26 1.61 0 N-CA-C 105.957 -1.868 . . . . 0.0 105.957 -177.642 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 127.108 2.755 . . . . 0.0 107.804 -179.82 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.778 0 CA-C-O 115.439 -2.219 . . . . 0.0 106.459 176.432 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.562 1 O-C-N 130.646 4.966 . . . . 0.0 106.327 179.178 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.145 0 CA-C-O 113.764 -3.017 . . . . 0.0 105.815 -179.795 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.459 0 CA-C-N 121.095 1.77 . . . . 0.0 110.006 -177.777 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.803 0 O-C-N 125.892 1.995 . . . . 0.0 105.801 -176.623 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.361 0 O-C-N 127.501 3.001 . . . . 0.0 112.731 -176.36 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.265 1.907 0 O-C-N 127.234 2.834 . . . . 0.0 112.306 177.588 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.916 0 O-C-N 119.086 -2.259 . . . . 0.0 111.931 -179.646 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.331 -0.198 0 O-C-N 126.612 2.445 . . . . 0.0 109.705 -174.855 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.753 0 C-N-CA 124.657 3.571 . . . . 0.0 111.96 179.704 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.872 0 CA-C-N 111.728 -2.487 . . . . 0.0 106.757 179.13 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.247 0 O-C-N 127.506 3.371 . . . . 0.0 107.922 178.939 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.502 0 C-N-CA 121.886 1.724 . . . . 0.0 108.316 178.837 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.583 0 O-C-N 127.057 2.723 . . . . 0.0 112.129 179.98 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.291 -1.976 0 C-N-CA 126.755 2.022 . . . . 0.0 114.902 -174.454 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.695 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 175.021 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 124.86 1.35 . . . . 0.0 113.677 -175.818 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.439 0 CA-C-O 117.399 -1.286 . . . . 0.0 112.763 -179.417 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.253 1.267 0 CA-C-N 121.763 2.074 . . . . 0.0 114.947 179.563 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.449 0 C-N-CA 122.167 1.911 . . . . 0.0 113.334 178.11 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.293 -1.883 0 C-N-CA 129.838 3.255 . . . . 0.0 112.24 178.832 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.058 0 O-C-N 119.467 -2.021 . . . . 0.0 109.537 177.986 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.328 0 CA-C-O 115.552 -2.166 . . . . 0.0 109.219 179.716 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 127.362 2.913 . . . . 0.0 109.394 179.593 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.213 0 O-C-N 120.289 -1.507 . . . . 0.0 112.937 177.141 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 122.024 0.916 . . . . 0.0 113.363 179.006 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.241 0 C-N-CA 126.442 1.897 . . . . 0.0 109.267 179.721 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.802 0 O-C-N 125.132 1.52 . . . . 0.0 110.237 175.855 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.159 0 C-N-CA 127.096 2.158 . . . . 0.0 114.636 178.798 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.547 2.046 0 CA-C-O 117.045 -1.975 . . . . 0.0 112.322 178.442 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.457 0 CA-C-N 118.143 0.972 . . . . 0.0 108.506 179.23 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 107.25 -1.389 . . . . 0.0 107.25 176.078 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.957 0 C-N-CA 123.983 0.913 . . . . 0.0 112.85 -179.56 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.485 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 -175.553 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.082 0 C-N-CA 125.01 1.324 . . . . 0.0 108.104 175.058 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 177.25 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.956 0 CA-C-N 114.312 -1.313 . . . . 0.0 110.106 -179.909 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-O 115.98 -1.962 . . . . 0.0 112.344 178.793 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.559 0 N-CA-C 116.554 2.057 . . . . 0.0 116.554 -174.923 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.599 0 CA-C-O 122.733 1.254 . . . . 0.0 112.304 -178.933 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 122.388 2.059 . . . . 0.0 115.107 -179.538 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 177.6 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.415 0 N-CA-C 115.19 1.552 . . . . 0.0 115.19 178.32 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.101 0 O-C-N 118.305 -2.747 . . . . 0.0 114.605 -179.035 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.299 0 N-CA-C 115.965 1.839 . . . . 0.0 115.965 179.712 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.502 -1.075 0 CA-C-N 120.263 1.13 . . . . 0.0 114.887 -179.598 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.305 1.042 . . . . 0.0 112.06 179.839 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 O-C-N 125.061 1.476 . . . . 0.0 111.506 -179.808 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.255 1.342 0 N-CA-C 116.891 2.182 . . . . 0.0 116.891 179.144 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 127.626 2.37 . . . . 0.0 115.585 -178.039 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.246 0.879 0 N-CA-C 117.131 2.271 . . . . 0.0 117.131 -178.567 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.041 0 CA-C-O 115.694 -2.726 . . . . 0.0 118.875 177.702 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.948 0 CA-C-N 124.172 3.986 . . . . 0.0 111.345 179.737 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-O 115.578 -2.154 . . . . 0.0 106.273 177.478 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.541 0 O-C-N 125.52 1.763 . . . . 0.0 107.636 -178.962 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.462 0 O-C-N 125.748 1.905 . . . . 0.0 111.516 -179.691 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-O 122.134 0.969 . . . . 0.0 110.698 179.484 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.248 1.012 0 N-CA-C 106.729 -1.582 . . . . 0.0 106.729 -179.874 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 1.98 0 O-C-N 126.097 2.123 . . . . 0.0 116.179 -179.836 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.264 1.825 0 CA-C-O 117.927 -1.035 . . . . 0.0 112.579 -178.26 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.485 1.966 0 N-CA-C 107.815 -2.114 . . . . 0.0 107.815 -178.37 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 125.359 2.504 . . . . 0.0 112.671 -177.872 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.246 0.883 0 CA-C-N 110.874 -2.876 . . . . 0.0 110.407 179.196 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -0.981 0 O-C-N 126.363 2.29 . . . . 0.0 105.451 176.562 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.405 0 N-CA-C 117.764 2.505 . . . . 0.0 117.764 -176.533 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 178.809 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 103.811 -2.663 . . . . 0.0 103.811 177.05 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 CA-C-N 111.978 -2.374 . . . . 0.0 108.02 -179.307 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.252 1.268 0 N-CA-C 118.552 2.181 . . . . 0.0 118.552 -178.233 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.659 0 O-C-N 121.503 -0.998 . . . . 0.0 112.269 -179.635 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.639 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -177.173 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.495 1.803 0 CA-C-O 124.213 1.959 . . . . 0.0 110.076 -179.79 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.914 0 CA-C-N 113.429 -1.714 . . . . 0.0 108.352 -178.406 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.463 0.495 0 CA-C-N 114.076 -1.42 . . . . 0.0 110.172 179.306 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 124.775 0.926 . . . . 0.0 110.005 179.975 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.247 0.965 0 CA-C-N 114.366 -1.288 . . . . 0.0 109.395 179.249 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.484 1.236 0 O-C-N 124.536 1.147 . . . . 0.0 110.197 178.851 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.841 0 N-CA-C 119.002 2.361 . . . . 0.0 119.002 -179.639 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.212 -0.875 0 O-C-N 120.866 -1.373 . . . . 0.0 109.095 179.517 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 107.092 -1.448 . . . . 0.0 107.092 178.608 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.264 1.852 0 O-C-N 125.71 1.882 . . . . 0.0 110.268 179.144 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.313 0.577 . . . . 0.0 111.886 -179.191 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 115.707 -2.092 . . . . 0.0 108.807 -177.905 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.928 0 O-C-N 127.302 2.877 . . . . 0.0 110.367 178.7 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-O 117.685 -1.15 . . . . 0.0 109.564 -179.681 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 O-C-N 128.083 3.364 . . . . 0.0 112.833 -177.734 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.262 0 O-C-N 125.066 1.479 . . . . 0.0 111.721 -178.072 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 123.875 0.87 . . . . 0.0 110.197 178.26 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 118.029 2.603 . . . . 0.0 118.029 175.667 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.057 0 C-N-CA 124.11 0.964 . . . . 0.0 109.088 177.544 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 127.417 2.948 . . . . 0.0 111.332 -177.914 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.305 -1.354 0 C-N-CA 129.962 3.305 . . . . 0.0 108.972 178.303 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.929 0 O-C-N 126.792 2.558 . . . . 0.0 113.77 -178.128 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 115.25 1.574 . . . . 0.0 115.25 -178.404 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 124.682 1.238 . . . . 0.0 109.95 178.501 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.378 0 C-N-CA 124.045 0.938 . . . . 0.0 109.152 179.057 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.89 0 C-N-CA 123.47 0.708 . . . . 0.0 112.744 -178.509 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-O 116.978 -1.487 . . . . 0.0 110.958 -177.817 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 CA-C-O 116.754 -1.594 . . . . 0.0 110.664 -176.938 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.149 0 CA-C-N 119.623 1.101 . . . . 0.0 112.867 -178.884 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 124.905 1.282 . . . . 0.0 111.707 -178.507 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 125.016 1.448 . . . . 0.0 108.284 -179.569 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 126.525 2.391 . . . . 0.0 111.617 -178.933 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 0.987 0 C-N-CA 120.137 -0.625 . . . . 0.0 110.527 177.576 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 114.29 1.219 . . . . 0.0 114.29 -177.792 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.512 0 C-N-CA 125.675 1.59 . . . . 0.0 111.245 177.378 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.466 0.669 0 O-C-N 121.316 -0.865 . . . . 0.0 114.252 -179.423 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.614 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 179.201 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.32 -0.675 0 O-C-N 119.849 -1.782 . . . . 0.0 109.636 -179.354 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 116.361 1.985 . . . . 0.0 116.361 -176.959 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.306 -1.326 0 O-C-N 125.262 1.601 . . . . 0.0 110.348 -176.687 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 112.561 -2.109 . . . . 0.0 108.339 176.039 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 N-CA-C 104.46 -2.422 . . . . 0.0 104.46 178.511 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 125.371 1.669 . . . . 0.0 108.275 -177.674 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.304 -1.232 0 O-C-N 125.84 1.962 . . . . 0.0 110.982 -175.558 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.474 -2.489 0 O-C-N 126.241 2.706 . . . . 0.0 115.072 -176.518 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.545 0 O-C-N 120.409 -1.432 . . . . 0.0 113.817 177.671 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.362 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 -176.989 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.263 1.804 0 CA-C-O 115.092 -2.385 . . . . 0.0 112.805 -178.727 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.644 0 CA-C-N 120.873 1.67 . . . . 0.0 114.797 -178.003 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.311 -1.096 0 C-N-CA 127.074 2.15 . . . . 0.0 111.204 -179.556 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 O-C-N 126.254 2.221 . . . . 0.0 110.484 -179.747 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 125.372 1.469 . . . . 0.0 107.052 177.879 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.261 1.698 0 C-N-CA 126.575 1.95 . . . . 0.0 112.573 179.049 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.179 0 CA-C-N 113.231 -1.804 . . . . 0.0 111.382 -177.661 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.149 0 C-N-CA 123.818 0.847 . . . . 0.0 113.171 -179.089 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 104.194 -2.521 . . . . 0.0 104.194 177.425 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 104.842 -2.281 . . . . 0.0 104.842 178.653 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 128.491 3.62 . . . . 0.0 116.996 -175.605 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.305 0 N-CA-C 105.327 -3.109 . . . . 0.0 105.327 177.066 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.387 0 O-C-N 128.451 3.089 . . . . 0.0 106.512 179.776 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.244 0.793 0 C-N-CA 118.956 -1.098 . . . . 0.0 112.68 -177.622 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.726 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 177.562 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.833 0 CA-C-O 122.44 1.114 . . . . 0.0 108.083 176.442 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.297 0 C-N-CA 121.506 1.471 . . . . 0.0 111.88 -179.727 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 176.966 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 105.365 -2.087 . . . . 0.0 105.365 177.52 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 122.788 1.28 . . . . 0.0 110.127 -176.875 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.25 1.135 0 CA-C-N 112.681 -2.054 . . . . 0.0 112.768 -178.621 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.229 0 CA-C-N 118.162 0.981 . . . . 0.0 110.771 -179.547 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.922 0 O-C-N 123.478 1.252 . . . . 0.0 111.653 177.174 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 103.142 -2.91 . . . . 0.0 103.142 178.475 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.306 -1.319 0 O-C-N 126.887 2.617 . . . . 0.0 112.241 -178.901 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.44 -1.666 0 N-CA-C 107.55 -1.75 . . . . 0.0 107.55 -179.761 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.29 -1.986 0 O-C-N 128.122 3.389 . . . . 0.0 102.995 179.508 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.979 0 CA-C-O 115.955 -1.974 . . . . 0.0 108.836 -177.738 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 C--N 1.293 -1.837 0 N-CA-C 104.086 -3.606 . . . . 0.0 104.086 179.307 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.529 0 CA-C-O 115.698 -2.096 . . . . 0.0 109.491 -178.457 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.72 0 N-CA-C 103.724 -2.695 . . . . 0.0 103.724 -178.714 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.498 -1.053 0 O-C-N 127.733 3.146 . . . . 0.0 113.528 -176.879 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 -178.773 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.501 2.979 0 O-C-N 126.292 2.245 . . . . 0.0 107.61 -178.728 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.954 -1.909 . . . . 0.0 110.271 -177.593 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.323 0 N-CA-C 100.621 -3.844 . . . . 0.0 100.621 -178.996 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.303 0 CA-C-O 115.224 -2.073 . . . . 0.0 112.121 179.551 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.805 0 CA-C-N 120.701 1.592 . . . . 0.0 109.559 177.794 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.276 2.456 0 CA-C-N 112.853 -1.976 . . . . 0.0 110.6 178.296 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.317 0 O-C-N 120.927 -1.108 . . . . 0.0 110.444 178.555 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.157 0 O-C-N 125.819 1.949 . . . . 0.0 110.27 -178.336 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.078 0 O-C-N 126.996 2.685 . . . . 0.0 107.048 178.944 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.484 -1.583 0 CA-C-O 122.158 0.98 . . . . 0.0 112.893 177.867 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.899 0 O-C-N 117.516 -3.24 . . . . 0.0 114.614 179.661 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.804 0 O-C-N 125.635 1.834 . . . . 0.0 108.127 179.525 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.299 -1.606 1 O-C-N 129.249 4.093 . . . . 0.0 109.767 179.184 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 120.11 -1.619 . . . . 0.0 111.829 179.053 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 125.175 1.39 . . . . 0.0 112.795 178.724 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.035 0 C-N-CA 128.057 2.741 . . . . 0.0 114.327 -178.561 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.271 2.23 0 C-N-CA 128.268 2.627 . . . . 0.0 111.557 -178.639 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 C-N-CA 117.566 -1.653 . . . . 0.0 107.41 179.451 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.098 0 CA-C-O 117.309 -1.329 . . . . 0.0 109.018 -179.906 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 N--CA 1.491 1.333 0 C-N-CA 122.853 2.369 . . . . 0.0 111.764 -179.333 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.249 1.038 0 O-C-N 118.604 -2.56 . . . . 0.0 115.701 -176.772 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.036 0 C-N-CA 126.627 1.971 . . . . 0.0 110.902 -178.686 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.952 0 C-N-CA 123.462 2.775 . . . . 0.0 115.454 178.504 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.684 0 CA-C-N 121.342 1.883 . . . . 0.0 113.454 177.987 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 124.964 1.306 . . . . 0.0 108.027 -179.981 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.827 0 C-N-CA 119.061 -1.056 . . . . 0.0 109.75 179.108 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.595 -0.691 . . . . 0.0 109.351 179.097 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 114.201 -1.363 . . . . 0.0 109.723 179.831 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-N 119.592 1.087 . . . . 0.0 111.972 -177.955 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.025 0 CA-C-O 117.118 -1.42 . . . . 0.0 111.851 -177.979 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 -178.949 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.472 0 CA-C-N 114.564 -1.198 . . . . 0.0 109.098 179.791 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-O 124.916 2.294 . . . . 0.0 109.445 178.34 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.056 0 CA-C-N 112.711 -2.04 . . . . 0.0 111.274 178.762 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 121.169 1.804 . . . . 0.0 112.742 179.889 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.337 0 CA-C-O 118.431 -0.795 . . . . 0.0 112.235 -176.254 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 O-C-N 124.053 0.845 . . . . 0.0 109.099 -179.301 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-O 115.231 -2.318 . . . . 0.0 110.893 -178.171 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.215 0 O-C-N 127.567 3.042 . . . . 0.0 111.049 178.975 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.803 0 C-N-CA 127.395 2.278 . . . . 0.0 113.762 -177.167 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 126.009 2.068 . . . . 0.0 112.164 -179.867 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.401 0 CA-C-N 121.352 1.887 . . . . 0.0 114.805 179.837 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.579 0 C-N-CA 124.786 1.235 . . . . 0.0 111.416 179.59 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 178.94 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 178.222 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.963 0 O-C-N 124.821 1.325 . . . . 0.0 109.991 -178.593 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 113.638 -1.619 . . . . 0.0 111.088 178.297 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 127.152 2.181 . . . . 0.0 112.555 -178.599 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 113.702 -1.59 . . . . 0.0 111.939 179.807 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-O 116.771 -1.585 . . . . 0.0 111.715 -178.312 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 126.494 2.371 . . . . 0.0 107.534 178.882 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 C--N 1.312 -1.044 0 C-N-CA 126.404 1.882 . . . . 0.0 113.168 179.207 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.668 -179.214 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.177 0 O-C-N 124.435 1.084 . . . . 0.0 108.241 178.122 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 116.528 -1.701 . . . . 0.0 112.091 179.025 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.257 1.478 0 N-CA-C 115.897 1.814 . . . . 0.0 115.897 -179.712 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 O-C-N 124.533 1.145 . . . . 0.0 111.125 -177.907 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.311 -1.104 0 O-C-N 125.442 1.714 . . . . 0.0 111.355 -178.662 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.043 0 C-N-CA 127.306 2.243 . . . . 0.0 107.432 179.128 . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 500' ' ' MXT . . . . . 0.615 H221 ' O11' ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 600' ' ' MXT . . . . . 0.684 ' O12' H231 ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.754 ' H ' ' C11' ' A' ' 500' ' ' MXT . 0.0 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 1.173 ' N ' H121 ' A' ' 500' ' ' MXT . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.322 0 O-C-N 125.664 1.852 . . . . 0.0 106.872 171.18 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.77 1 O-C-N 129.165 4.245 . . . . 0.0 107.989 -176.609 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.929 0 CA-C-N 121.019 1.736 . . . . 0.0 112.64 -178.299 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.502 2.152 0 CA-C-N 114.245 -1.343 . . . . 0.0 110.916 -178.299 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.164 0 C-N-CA 127.013 2.125 . . . . 0.0 110.266 -177.767 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.454 0 O-C-N 120.873 -1.142 . . . . 0.0 109.868 178.793 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.583 0 N-CA-C 105.899 -1.889 . . . . 0.0 105.899 -177.562 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 127.139 2.774 . . . . 0.0 107.852 179.54 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.765 0 CA-C-O 115.434 -2.222 . . . . 0.0 106.468 177.766 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.555 1 O-C-N 130.64 4.962 . . . . 0.0 106.284 177.972 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.146 0 CA-C-O 113.704 -3.046 . . . . 0.0 105.884 -179.827 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.487 1.409 0 CA-C-N 121.165 1.802 . . . . 0.0 110.072 -177.783 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.783 0 O-C-N 125.924 2.015 . . . . 0.0 105.811 -176.636 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.254 1.311 0 O-C-N 127.537 3.023 . . . . 0.0 112.785 -176.367 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.267 1.983 0 O-C-N 127.245 2.841 . . . . 0.0 112.259 177.621 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 122.145 2.248 . . . . 0.0 111.907 -179.653 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--O 1.225 -0.211 0 O-C-N 126.631 2.457 . . . . 0.0 109.684 -174.85 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.713 0 C-N-CA 124.658 3.572 . . . . 0.0 111.946 179.706 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.852 0 CA-C-N 111.701 -2.5 . . . . 0.0 106.775 179.173 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.248 0 O-C-N 127.486 3.361 . . . . 0.0 107.907 179.003 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.502 0 C-N-CA 121.887 1.725 . . . . 0.0 108.314 178.88 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.594 0 O-C-N 127.071 2.732 . . . . 0.0 112.16 179.955 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -2.018 0 C-N-CA 126.789 2.036 . . . . 0.0 114.963 -174.495 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.57 1.717 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 175.02 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 124.907 1.379 . . . . 0.0 113.636 -175.795 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.407 0 CA-C-O 117.43 -1.271 . . . . 0.0 112.786 -179.406 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.253 1.248 0 CA-C-N 121.77 2.077 . . . . 0.0 114.952 179.62 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.311 -1.446 0 C-N-CA 122.177 1.918 . . . . 0.0 113.321 178.058 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.293 -1.88 0 C-N-CA 129.785 3.234 . . . . 0.0 112.252 178.898 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.041 0 O-C-N 119.455 -2.028 . . . . 0.0 109.539 178.006 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.559 1.301 0 CA-C-O 115.576 -2.154 . . . . 0.0 109.26 179.685 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 127.368 2.917 . . . . 0.0 109.387 179.601 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.217 0 O-C-N 120.314 -1.491 . . . . 0.0 112.922 177.125 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-O 122.029 0.918 . . . . 0.0 113.357 179.015 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.262 0 C-N-CA 126.511 1.924 . . . . 0.0 109.278 179.66 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.802 0 O-C-N 125.11 1.506 . . . . 0.0 110.262 175.867 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.144 0 C-N-CA 127.047 2.139 . . . . 0.0 114.614 178.781 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.022 0 CA-C-O 117.077 -1.957 . . . . 0.0 112.374 178.479 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 118.119 0.96 . . . . 0.0 108.503 179.262 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 176.112 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.935 0 C-N-CA 123.92 0.888 . . . . 0.0 112.88 -179.497 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.484 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 -175.535 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.31 -1.11 0 C-N-CA 125.029 1.332 . . . . 0.0 108.052 175.105 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 177.236 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.212 -0.908 0 CA-C-N 114.282 -1.327 . . . . 0.0 110.108 -179.918 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-O 115.953 -1.975 . . . . 0.0 112.331 178.801 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.558 0 C-N-CA 126.84 2.056 . . . . 0.0 116.549 -174.877 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.591 0 CA-C-O 122.724 1.249 . . . . 0.0 112.286 -178.915 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 122.404 2.069 . . . . 0.0 115.132 -179.542 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 107.478 -1.304 . . . . 0.0 107.478 177.633 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.443 0 N-CA-C 115.213 1.56 . . . . 0.0 115.213 178.311 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.121 0 O-C-N 118.35 -2.719 . . . . 0.0 114.656 -179.121 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.305 0 N-CA-C 115.997 1.851 . . . . 0.0 115.997 179.686 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.06 0 CA-C-N 120.254 1.126 . . . . 0.0 114.908 -179.657 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.263 1.025 . . . . 0.0 112.069 179.802 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 O-C-N 125.133 1.521 . . . . 0.0 111.458 -179.779 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.333 0 N-CA-C 116.885 2.18 . . . . 0.0 116.885 179.135 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 127.687 2.395 . . . . 0.0 115.528 -178.065 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.246 0.908 0 N-CA-C 117.094 2.257 . . . . 0.0 117.094 -178.54 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.482 -2.016 0 CA-C-O 115.663 -2.743 . . . . 0.0 118.849 177.648 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.96 0 CA-C-N 124.188 3.994 . . . . 0.0 111.394 179.685 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-O 115.661 -2.114 . . . . 0.0 106.268 177.505 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.302 -1.481 0 O-C-N 125.467 1.729 . . . . 0.0 107.628 -178.963 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.481 0 O-C-N 125.815 1.947 . . . . 0.0 111.504 -179.661 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-O 122.11 0.957 . . . . 0.0 110.707 179.447 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.057 0 N-CA-C 106.746 -1.576 . . . . 0.0 106.746 -179.895 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 2.0 0 O-C-N 126.005 2.065 . . . . 0.0 116.189 -179.8 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.792 0 CA-C-O 117.9 -1.047 . . . . 0.0 112.598 -178.267 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.485 1.936 0 N-CA-C 107.799 -2.121 . . . . 0.0 107.799 -178.396 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 125.307 2.48 . . . . 0.0 112.689 -177.851 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.246 0.882 0 CA-C-N 110.889 -2.868 . . . . 0.0 110.42 179.184 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -0.991 0 O-C-N 126.386 2.304 . . . . 0.0 105.384 176.656 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.417 0 N-CA-C 117.791 2.515 . . . . 0.0 117.791 -176.557 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.762 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 103.844 -2.651 . . . . 0.0 103.844 177.064 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 CA-C-N 112.033 -2.349 . . . . 0.0 108.003 -179.307 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.324 0 N-CA-C 118.561 2.184 . . . . 0.0 118.561 -178.272 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.243 0.724 0 O-C-N 121.461 -1.023 . . . . 0.0 112.239 -179.671 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.669 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -177.185 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.852 0 CA-C-O 124.215 1.96 . . . . 0.0 110.072 -179.821 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.916 0 CA-C-N 113.441 -1.709 . . . . 0.0 108.36 -178.35 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 C--N 1.318 -0.445 0 CA-C-N 114.051 -1.432 . . . . 0.0 110.205 179.277 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 124.873 0.984 . . . . 0.0 110.047 179.891 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.996 0 CA-C-N 114.358 -1.292 . . . . 0.0 109.365 179.312 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.484 1.238 0 O-C-N 124.504 1.128 . . . . 0.0 110.179 178.852 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.837 0 N-CA-C 119.098 2.399 . . . . 0.0 119.098 -179.687 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.822 0 O-C-N 120.894 -1.356 . . . . 0.0 109.08 179.509 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.307 -1.282 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 178.586 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.266 1.944 0 O-C-N 125.684 1.865 . . . . 0.0 110.228 179.121 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.388 0.613 . . . . 0.0 111.875 -179.135 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 115.7 -2.095 . . . . 0.0 108.781 -177.874 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.902 0 O-C-N 127.249 2.843 . . . . 0.0 110.372 178.74 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 117.717 -1.135 . . . . 0.0 109.596 -179.733 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 O-C-N 128.109 3.381 . . . . 0.0 112.856 -177.709 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.258 0 O-C-N 125.056 1.472 . . . . 0.0 111.769 -178.127 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 123.881 0.873 . . . . 0.0 110.246 178.214 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 118.03 2.604 . . . . 0.0 118.03 175.699 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.039 0 C-N-CA 124.06 0.944 . . . . 0.0 109.071 177.545 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 127.426 2.954 . . . . 0.0 111.365 -177.951 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.305 -1.362 0 C-N-CA 130.006 3.322 . . . . 0.0 108.973 178.326 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.934 0 O-C-N 126.725 2.516 . . . . 0.0 113.771 -178.142 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 115.284 1.586 . . . . 0.0 115.284 -178.408 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 124.709 1.256 . . . . 0.0 109.943 178.545 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.303 -1.433 0 C-N-CA 124.037 0.935 . . . . 0.0 109.196 179.029 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 123.482 0.713 . . . . 0.0 112.726 -178.498 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-O 117.026 -1.464 . . . . 0.0 110.957 -177.806 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 CA-C-O 116.745 -1.597 . . . . 0.0 110.694 -176.946 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.252 1.205 0 CA-C-N 119.607 1.094 . . . . 0.0 112.866 -178.892 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 124.966 1.306 . . . . 0.0 111.653 -178.456 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 124.998 1.436 . . . . 0.0 108.297 -179.553 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 126.523 2.389 . . . . 0.0 111.572 -178.924 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.249 1.035 0 C-N-CA 120.149 -0.621 . . . . 0.0 110.488 177.634 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 -177.751 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.503 0 C-N-CA 125.69 1.596 . . . . 0.0 111.233 177.392 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 C--O 1.243 0.692 0 O-C-N 121.293 -0.879 . . . . 0.0 114.259 -179.381 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.605 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 179.231 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.654 0 O-C-N 119.86 -1.775 . . . . 0.0 109.689 -179.313 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 116.352 1.982 . . . . 0.0 116.352 -176.917 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 125.238 1.586 . . . . 0.0 110.318 -176.647 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 112.547 -2.115 . . . . 0.0 108.312 176.027 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 N-CA-C 104.52 -2.4 . . . . 0.0 104.52 178.505 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 125.435 1.709 . . . . 0.0 108.313 -177.694 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.279 0 O-C-N 125.841 1.963 . . . . 0.0 110.96 -175.513 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.474 -2.491 0 O-C-N 126.334 2.755 . . . . 0.0 115.1 -176.557 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.55 0 O-C-N 120.385 -1.447 . . . . 0.0 113.796 177.677 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.378 0 N-CA-C 115.601 1.704 . . . . 0.0 115.601 -176.973 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.263 1.81 0 CA-C-O 115.093 -2.384 . . . . 0.0 112.799 -178.708 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.649 0 CA-C-N 120.931 1.696 . . . . 0.0 114.821 -178.014 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.311 -1.072 0 C-N-CA 127.038 2.135 . . . . 0.0 111.18 -179.546 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 O-C-N 126.279 2.237 . . . . 0.0 110.436 -179.71 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 125.367 1.467 . . . . 0.0 107.045 177.927 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.74 0 C-N-CA 126.629 1.972 . . . . 0.0 112.551 179.041 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.183 0 CA-C-N 113.195 -1.82 . . . . 0.0 111.405 -177.685 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.309 -1.181 0 C-N-CA 123.87 0.868 . . . . 0.0 113.118 -179.11 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 104.168 -2.531 . . . . 0.0 104.168 177.439 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 104.781 -2.303 . . . . 0.0 104.781 178.709 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 128.493 3.62 . . . . 0.0 117.019 -175.649 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.584 4.371 0 N-CA-C 105.313 -3.115 . . . . 0.0 105.313 177.115 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.273 2.308 0 O-C-N 128.554 3.149 . . . . 0.0 106.522 179.804 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.244 0.793 0 C-N-CA 118.885 -1.126 . . . . 0.0 112.721 -177.639 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.78 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 177.57 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.816 0 CA-C-O 122.477 1.132 . . . . 0.0 108.101 176.427 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 121.456 1.438 . . . . 0.0 111.882 -179.718 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 177.05 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 105.319 -2.104 . . . . 0.0 105.319 177.497 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 122.79 1.281 . . . . 0.0 110.101 -176.95 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.166 0 CA-C-N 112.671 -2.058 . . . . 0.0 112.796 179.653 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.204 0 CA-C-N 118.188 0.994 . . . . 0.0 110.719 179.993 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.928 0 O-C-N 123.495 1.261 . . . . 0.0 111.601 177.232 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 103.147 -2.908 . . . . 0.0 103.147 178.672 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.328 0 O-C-N 126.92 2.637 . . . . 0.0 112.2 -178.793 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.719 0 N-CA-C 107.577 -1.74 . . . . 0.0 107.577 -179.23 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.955 0 O-C-N 128.092 3.37 . . . . 0.0 103.001 179.64 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.266 1.957 0 CA-C-O 116.052 -1.928 . . . . 0.0 108.763 -179.805 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.817 0 N-CA-C 104.071 -3.612 . . . . 0.0 104.071 179.64 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.509 0 CA-C-O 115.705 -2.093 . . . . 0.0 109.508 -178.364 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.748 0 N-CA-C 103.712 -2.699 . . . . 0.0 103.712 -179.42 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.059 0 O-C-N 127.769 3.168 . . . . 0.0 113.5 -177.163 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 106.346 -1.724 . . . . 0.0 106.346 -178.392 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.953 0 O-C-N 126.24 2.212 . . . . 0.0 107.601 -178.965 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.437 -2.214 . . . . 0.0 110.271 -177.055 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.297 0 N-CA-C 100.656 -3.831 . . . . 0.0 100.656 -178.722 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.31 0 CA-C-O 115.278 -2.051 . . . . 0.0 112.122 179.422 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.272 -2.798 0 CA-C-N 120.68 1.582 . . . . 0.0 109.59 177.823 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.274 2.388 0 CA-C-N 112.756 -2.02 . . . . 0.0 110.58 178.338 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.432 -1.326 0 O-C-N 120.913 -1.117 . . . . 0.0 110.448 178.572 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.145 0 O-C-N 125.782 1.926 . . . . 0.0 110.275 -178.374 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.091 0 O-C-N 127.045 2.716 . . . . 0.0 107.024 178.965 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.6 0 CA-C-O 122.209 1.004 . . . . 0.0 112.937 177.921 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.442 -0.865 0 O-C-N 117.495 -3.253 . . . . 0.0 114.612 179.635 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.82 0 O-C-N 125.637 1.836 . . . . 0.0 108.179 179.482 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.299 -1.62 1 O-C-N 129.332 4.145 . . . . 0.0 109.769 179.183 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 120.072 -1.642 . . . . 0.0 111.892 179.05 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.302 -1.473 0 C-N-CA 125.05 1.34 . . . . 0.0 112.784 178.728 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.29 -2.012 0 C-N-CA 127.976 2.703 . . . . 0.0 114.279 -179.572 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.273 2.312 0 C-N-CA 128.255 2.622 . . . . 0.0 111.486 -178.621 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 C-N-CA 117.606 -1.637 . . . . 0.0 107.399 -179.922 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.094 0 CA-C-O 117.276 -1.345 . . . . 0.0 108.997 -179.981 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.314 -1.287 0 C-N-CA 122.868 2.379 . . . . 0.0 111.764 179.843 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.01 0 O-C-N 118.702 -2.499 . . . . 0.0 115.671 -177.175 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.054 0 C-N-CA 126.638 1.975 . . . . 0.0 110.923 -179.44 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.972 0 C-N-CA 123.432 2.755 . . . . 0.0 115.501 177.884 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-N 121.309 1.868 . . . . 0.0 113.46 177.99 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 124.965 1.306 . . . . 0.0 107.998 179.989 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.854 0 C-N-CA 119.057 -1.057 . . . . 0.0 109.711 179.162 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.581 -0.699 . . . . 0.0 109.254 179.144 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 C--O 1.243 0.746 0 CA-C-N 114.253 -1.339 . . . . 0.0 109.749 179.853 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-N 119.538 1.063 . . . . 0.0 111.955 -177.968 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 117.104 -1.427 . . . . 0.0 111.842 -178.021 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 -178.899 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.463 0 CA-C-N 114.553 -1.203 . . . . 0.0 109.187 179.73 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-O 124.856 2.265 . . . . 0.0 109.411 178.327 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.048 0 CA-C-N 112.734 -2.03 . . . . 0.0 111.277 178.794 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-N 121.143 1.792 . . . . 0.0 112.738 179.892 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.295 0 CA-C-O 118.481 -0.771 . . . . 0.0 112.278 -176.297 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 O-C-N 124.045 0.84 . . . . 0.0 109.143 -179.332 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-O 115.252 -2.308 . . . . 0.0 110.935 -178.157 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.209 0 O-C-N 127.571 3.044 . . . . 0.0 111.04 178.943 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.294 -1.812 0 C-N-CA 127.433 2.293 . . . . 0.0 113.787 -177.201 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 125.956 2.035 . . . . 0.0 112.244 -179.948 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.385 0 CA-C-N 121.281 1.855 . . . . 0.0 114.818 179.85 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.587 0 C-N-CA 124.763 1.225 . . . . 0.0 111.449 179.56 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 107.126 -1.435 . . . . 0.0 107.126 178.928 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.237 0 N-CA-C 107.286 -1.375 . . . . 0.0 107.286 178.227 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 O-C-N 124.815 1.322 . . . . 0.0 110.036 -178.665 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-N 113.63 -1.623 . . . . 0.0 111.073 178.315 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.503 0 C-N-CA 127.111 2.164 . . . . 0.0 112.549 -178.543 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 113.697 -1.592 . . . . 0.0 111.97 179.768 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-O 116.765 -1.588 . . . . 0.0 111.649 -178.273 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 126.467 2.354 . . . . 0.0 107.528 178.909 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 C--N 1.312 -1.049 0 C-N-CA 126.444 1.898 . . . . 0.0 113.142 179.222 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.659 -179.213 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.18 0 O-C-N 124.441 1.088 . . . . 0.0 108.217 178.153 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 116.622 -1.656 . . . . 0.0 112.081 179.069 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.506 0 N-CA-C 115.882 1.808 . . . . 0.0 115.882 -179.722 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 O-C-N 124.489 1.118 . . . . 0.0 111.134 -177.911 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.309 -1.155 0 O-C-N 125.456 1.722 . . . . 0.0 111.334 -178.697 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.093 0 C-N-CA 127.308 2.243 . . . . 0.0 107.418 179.139 . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 500' ' ' MXT . . . . . 1.173 H121 ' N ' ' A' ' 42' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 600' ' ' MXT . . . . . 0.871 H231 ' O11' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.467 ' HA ' H121 ' A' ' 500' ' ' MXT . 0.5 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.288 0 O-C-N 125.664 1.852 . . . . 0.0 106.879 167.018 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.753 1 O-C-N 129.204 4.265 . . . . 0.0 108.011 -174.418 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.943 0 CA-C-N 121.046 1.748 . . . . 0.0 112.642 -178.291 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.177 0 CA-C-N 114.201 -1.363 . . . . 0.0 110.925 -176.646 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 C-N-CA 127.037 2.135 . . . . 0.0 110.289 -177.036 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.256 1.432 0 O-C-N 120.818 -1.176 . . . . 0.0 109.829 177.297 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.589 0 N-CA-C 105.974 -1.862 . . . . 0.0 105.974 -177.247 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 127.182 2.802 . . . . 0.0 107.837 177.706 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.758 0 CA-C-O 115.504 -2.188 . . . . 0.0 106.434 -179.74 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.535 1 O-C-N 130.614 4.946 . . . . 0.0 106.293 176.974 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.164 0 CA-C-O 113.757 -3.021 . . . . 0.0 105.841 -179.808 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-N 121.14 1.791 . . . . 0.0 110.052 -177.834 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 125.868 1.98 . . . . 0.0 105.801 -176.572 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.372 0 O-C-N 127.484 2.99 . . . . 0.0 112.754 -176.359 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.969 0 O-C-N 127.191 2.807 . . . . 0.0 112.294 177.613 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 122.167 2.258 . . . . 0.0 111.854 -179.602 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.331 -0.222 0 O-C-N 126.651 2.47 . . . . 0.0 109.717 -174.877 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.722 0 C-N-CA 124.626 3.551 . . . . 0.0 111.972 179.689 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.475 0.822 0 CA-C-N 111.722 -2.49 . . . . 0.0 106.768 179.124 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.315 -1.22 0 O-C-N 127.584 3.413 . . . . 0.0 107.893 178.996 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.329 -0.496 0 C-N-CA 121.841 1.694 . . . . 0.0 108.288 178.863 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.582 0 O-C-N 127.074 2.734 . . . . 0.0 112.156 179.958 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.986 0 C-N-CA 126.749 2.019 . . . . 0.0 114.908 -174.501 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.705 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 175.016 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 124.944 1.403 . . . . 0.0 113.62 -175.773 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.255 1.392 0 CA-C-O 117.403 -1.284 . . . . 0.0 112.803 -179.417 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.33 0 CA-C-N 121.695 2.043 . . . . 0.0 114.943 179.625 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.459 0 C-N-CA 122.214 1.943 . . . . 0.0 113.296 178.075 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.292 -1.9 0 C-N-CA 129.761 3.225 . . . . 0.0 112.27 178.903 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.311 -1.068 0 O-C-N 119.48 -2.012 . . . . 0.0 109.527 177.968 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.342 0 CA-C-O 115.561 -2.161 . . . . 0.0 109.236 179.774 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 127.439 2.962 . . . . 0.0 109.443 179.545 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.216 0 O-C-N 120.287 -1.508 . . . . 0.0 112.873 177.177 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-O 122.0 0.905 . . . . 0.0 113.327 179.01 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.264 0 C-N-CA 126.472 1.909 . . . . 0.0 109.297 179.732 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 125.061 1.476 . . . . 0.0 110.254 175.827 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.149 0 C-N-CA 127.048 2.139 . . . . 0.0 114.589 178.828 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 1.973 0 CA-C-O 117.092 -1.949 . . . . 0.0 112.33 178.449 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-N 118.164 0.982 . . . . 0.0 108.516 179.249 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 176.003 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.931 0 C-N-CA 123.951 0.9 . . . . 0.0 112.892 -179.496 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.474 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 -175.51 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.31 -1.121 0 C-N-CA 125.07 1.348 . . . . 0.0 108.149 175.071 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 177.224 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.212 -0.911 0 CA-C-N 114.312 -1.313 . . . . 0.0 110.088 -179.905 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-O 115.992 -1.956 . . . . 0.0 112.309 178.839 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.561 0 N-CA-C 116.542 2.052 . . . . 0.0 116.542 -174.866 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.594 0 CA-C-O 122.762 1.268 . . . . 0.0 112.31 -178.941 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 122.367 2.045 . . . . 0.0 115.135 -179.554 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 107.472 -1.306 . . . . 0.0 107.472 177.67 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.442 0 N-CA-C 115.176 1.547 . . . . 0.0 115.176 178.324 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.497 -1.094 0 O-C-N 118.343 -2.723 . . . . 0.0 114.651 -179.065 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.301 0 N-CA-C 115.949 1.833 . . . . 0.0 115.949 179.701 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.075 0 CA-C-N 120.255 1.127 . . . . 0.0 114.868 -179.596 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.274 1.029 . . . . 0.0 112.001 179.853 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 O-C-N 125.062 1.476 . . . . 0.0 111.477 -179.747 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.295 0 N-CA-C 116.922 2.193 . . . . 0.0 116.922 179.148 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 127.647 2.379 . . . . 0.0 115.53 -178.083 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.246 0.873 0 N-CA-C 117.138 2.273 . . . . 0.0 117.138 -178.565 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.482 -2.026 0 CA-C-O 115.715 -2.714 . . . . 0.0 118.86 177.671 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.961 0 CA-C-N 124.153 3.976 . . . . 0.0 111.367 179.765 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-O 115.62 -2.133 . . . . 0.0 106.291 177.554 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.302 -1.483 0 O-C-N 125.497 1.748 . . . . 0.0 107.627 -178.94 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.45 0 O-C-N 125.769 1.918 . . . . 0.0 111.459 -179.641 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-O 122.086 0.946 . . . . 0.0 110.737 179.367 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.069 0 N-CA-C 106.738 -1.579 . . . . 0.0 106.738 -179.91 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 1.976 0 O-C-N 126.034 2.084 . . . . 0.0 116.232 -179.822 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.8 0 CA-C-O 117.935 -1.031 . . . . 0.0 112.617 -178.227 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.485 1.948 0 N-CA-C 107.817 -2.113 . . . . 0.0 107.817 -178.377 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 125.324 2.488 . . . . 0.0 112.697 -177.88 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.246 0.874 0 CA-C-N 110.884 -2.871 . . . . 0.0 110.46 179.165 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -0.98 0 O-C-N 126.353 2.283 . . . . 0.0 105.409 176.664 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.407 0 N-CA-C 117.779 2.511 . . . . 0.0 117.779 -176.507 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 178.796 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 103.824 -2.658 . . . . 0.0 103.824 177.08 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 CA-C-N 112.002 -2.363 . . . . 0.0 108.034 -179.363 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.3 0 N-CA-C 118.515 2.166 . . . . 0.0 118.515 -178.208 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.241 0.658 0 O-C-N 121.443 -1.033 . . . . 0.0 112.258 -179.684 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.686 0 O-C-N 123.656 0.598 . . . . 0.0 112.596 -177.127 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.842 0 CA-C-O 124.236 1.969 . . . . 0.0 110.07 -179.805 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.891 0 CA-C-N 113.455 -1.702 . . . . 0.0 108.363 -178.371 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.464 0.516 0 CA-C-N 114.009 -1.45 . . . . 0.0 110.182 179.277 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 124.781 0.93 . . . . 0.0 110.007 179.95 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.247 0.969 0 CA-C-N 114.39 -1.277 . . . . 0.0 109.329 179.339 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.187 0 O-C-N 124.535 1.147 . . . . 0.0 110.196 178.842 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.86 0 N-CA-C 119.095 2.398 . . . . 0.0 119.095 -179.673 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.842 0 O-C-N 120.877 -1.367 . . . . 0.0 109.104 179.453 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 178.626 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.266 1.931 0 O-C-N 125.695 1.872 . . . . 0.0 110.253 179.13 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.367 0.603 . . . . 0.0 111.896 -179.137 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 115.721 -2.085 . . . . 0.0 108.828 -177.946 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.893 0 O-C-N 127.248 2.842 . . . . 0.0 110.357 178.719 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-O 117.672 -1.156 . . . . 0.0 109.577 -179.705 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 O-C-N 128.174 3.421 . . . . 0.0 112.872 -177.742 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.252 1.226 0 O-C-N 125.085 1.491 . . . . 0.0 111.758 -178.092 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 123.843 0.857 . . . . 0.0 110.181 178.275 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.292 -1.927 0 N-CA-C 118.06 2.615 . . . . 0.0 118.06 175.686 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.045 0 C-N-CA 124.093 0.957 . . . . 0.0 109.102 177.524 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 127.435 2.959 . . . . 0.0 111.35 -177.956 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.305 -1.367 0 C-N-CA 130.0 3.32 . . . . 0.0 109.016 178.285 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.935 0 O-C-N 126.728 2.518 . . . . 0.0 113.76 -178.12 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 115.28 1.585 . . . . 0.0 115.28 -178.391 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 124.718 1.261 . . . . 0.0 109.922 178.585 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.401 0 C-N-CA 124.013 0.925 . . . . 0.0 109.16 179.057 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.878 0 C-N-CA 123.478 0.711 . . . . 0.0 112.71 -178.48 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-O 116.985 -1.483 . . . . 0.0 110.979 -177.784 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 CA-C-O 116.758 -1.591 . . . . 0.0 110.708 -176.97 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.16 0 CA-C-N 119.554 1.07 . . . . 0.0 112.873 -178.924 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 124.952 1.301 . . . . 0.0 111.718 -178.515 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 125.029 1.456 . . . . 0.0 108.28 -179.578 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 126.505 2.378 . . . . 0.0 111.592 -178.931 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.008 0 C-N-CA 120.201 -0.599 . . . . 0.0 110.479 177.601 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -177.746 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 125.647 1.579 . . . . 0.0 111.308 177.351 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.466 0.683 0 O-C-N 121.355 -0.841 . . . . 0.0 114.253 -179.401 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.623 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 179.242 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 119.786 -1.821 . . . . 0.0 109.662 -179.344 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.442 -0.869 0 N-CA-C 116.335 1.976 . . . . 0.0 116.335 -176.968 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 125.242 1.589 . . . . 0.0 110.335 -176.629 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 112.532 -2.122 . . . . 0.0 108.361 176.028 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 N-CA-C 104.489 -2.412 . . . . 0.0 104.489 178.502 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 125.376 1.673 . . . . 0.0 108.235 -177.687 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 N--CA 1.474 1.223 0 O-C-N 125.834 1.959 . . . . 0.0 110.995 -175.574 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.465 0 O-C-N 126.243 2.707 . . . . 0.0 115.023 -176.5 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.259 1.569 0 O-C-N 120.426 -1.421 . . . . 0.0 113.776 177.699 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.363 0 N-CA-C 115.567 1.692 . . . . 0.0 115.567 -176.935 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.264 1.829 0 CA-C-O 115.114 -2.374 . . . . 0.0 112.802 -178.687 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.261 1.689 0 CA-C-N 120.894 1.679 . . . . 0.0 114.864 -178.051 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.311 -1.072 0 C-N-CA 127.044 2.138 . . . . 0.0 111.191 -179.563 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 O-C-N 126.253 2.22 . . . . 0.0 110.434 -179.715 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 125.326 1.45 . . . . 0.0 107.099 177.878 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.744 0 C-N-CA 126.545 1.938 . . . . 0.0 112.633 178.98 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.179 0 CA-C-N 113.214 -1.812 . . . . 0.0 111.377 -177.682 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.144 0 C-N-CA 123.856 0.862 . . . . 0.0 113.198 -179.049 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 104.185 -2.524 . . . . 0.0 104.185 177.429 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 104.861 -2.274 . . . . 0.0 104.861 178.65 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 128.552 3.657 . . . . 0.0 117.019 -175.619 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.582 4.278 0 N-CA-C 105.359 -3.096 . . . . 0.0 105.359 177.058 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.36 0 O-C-N 128.446 3.086 . . . . 0.0 106.497 179.812 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.831 0 C-N-CA 118.975 -1.09 . . . . 0.0 112.754 -177.638 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.791 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 177.545 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.857 0 CA-C-O 122.44 1.114 . . . . 0.0 108.067 176.466 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 121.482 1.455 . . . . 0.0 111.826 -179.688 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 177.001 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 105.3 -2.111 . . . . 0.0 105.3 177.514 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 122.774 1.273 . . . . 0.0 110.063 -176.954 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.168 0 CA-C-N 112.691 -2.049 . . . . 0.0 112.768 179.68 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.309 -1.195 0 CA-C-N 118.212 1.006 . . . . 0.0 110.78 179.75 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.914 0 O-C-N 123.522 1.275 . . . . 0.0 111.666 177.382 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 103.187 -2.894 . . . . 0.0 103.187 178.552 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.306 -1.31 0 O-C-N 126.891 2.619 . . . . 0.0 112.215 -178.766 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.7 0 N-CA-C 107.542 -1.753 . . . . 0.0 107.542 -179.803 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.975 0 O-C-N 128.103 3.377 . . . . 0.0 102.979 179.668 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.975 0 CA-C-O 116.037 -1.935 . . . . 0.0 108.778 179.764 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.841 0 N-CA-C 104.033 -3.627 . . . . 0.0 104.033 -179.163 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.504 0 CA-C-O 115.72 -2.086 . . . . 0.0 109.487 -178.337 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.733 0 N-CA-C 103.717 -2.698 . . . . 0.0 103.717 -179.255 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.065 0 O-C-N 127.726 3.141 . . . . 0.0 113.481 -179.31 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 106.334 -1.728 . . . . 0.0 106.334 -177.839 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.959 0 O-C-N 126.286 2.241 . . . . 0.0 107.591 -179.389 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.289 -2.3 . . . . 0.0 110.271 -177.527 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.314 0 N-CA-C 100.648 -3.834 . . . . 0.0 100.648 -173.887 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.445 -1.34 0 CA-C-O 115.259 -2.059 . . . . 0.0 112.105 175.973 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.272 -2.791 0 CA-C-N 120.715 1.598 . . . . 0.0 109.577 177.812 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.438 0 CA-C-N 112.847 -1.979 . . . . 0.0 110.612 178.299 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.434 -1.264 0 O-C-N 120.926 -1.109 . . . . 0.0 110.399 178.55 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.556 1.191 0 O-C-N 125.79 1.931 . . . . 0.0 110.241 -178.334 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.289 -2.048 0 O-C-N 127.063 2.727 . . . . 0.0 107.076 178.955 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.484 -1.585 0 CA-C-O 122.176 0.989 . . . . 0.0 112.943 177.897 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.914 0 O-C-N 117.517 -3.239 . . . . 0.0 114.648 179.606 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.573 1.83 0 O-C-N 125.611 1.819 . . . . 0.0 108.122 179.496 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.299 -1.598 1 O-C-N 129.284 4.115 . . . . 0.0 109.74 179.218 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 120.028 -1.67 . . . . 0.0 111.836 179.082 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 125.079 1.352 . . . . 0.0 112.819 178.681 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.29 -2.006 0 C-N-CA 127.963 2.697 . . . . 0.0 114.314 -179.183 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.273 0 C-N-CA 128.269 2.628 . . . . 0.0 111.522 -177.211 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 C-N-CA 117.604 -1.639 . . . . 0.0 107.379 178.983 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.287 -2.128 0 CA-C-O 117.288 -1.339 . . . . 0.0 109.022 -179.484 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 N--CA 1.49 1.307 0 C-N-CA 122.885 2.39 . . . . 0.0 111.774 179.039 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.017 0 O-C-N 118.669 -2.519 . . . . 0.0 115.698 -177.78 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.051 0 C-N-CA 126.602 1.961 . . . . 0.0 110.901 179.715 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.506 -0.918 0 C-N-CA 123.43 2.753 . . . . 0.0 115.491 178.28 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-N 121.281 1.855 . . . . 0.0 113.48 178.058 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 124.968 1.307 . . . . 0.0 108.005 179.985 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.244 0.804 0 C-N-CA 119.025 -1.07 . . . . 0.0 109.801 179.086 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.586 -0.696 . . . . 0.0 109.31 179.104 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 114.222 -1.354 . . . . 0.0 109.729 179.848 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 119.565 1.075 . . . . 0.0 111.958 -177.995 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-O 117.037 -1.459 . . . . 0.0 111.84 -177.982 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 -178.936 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.462 0 CA-C-N 114.608 -1.178 . . . . 0.0 109.155 179.755 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-O 124.887 2.28 . . . . 0.0 109.412 178.32 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.042 0 CA-C-N 112.729 -2.032 . . . . 0.0 111.284 178.817 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.721 0 CA-C-N 121.17 1.804 . . . . 0.0 112.769 179.858 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.253 1.272 0 CA-C-O 118.493 -0.765 . . . . 0.0 112.281 -176.303 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 O-C-N 124.066 0.854 . . . . 0.0 109.123 -179.329 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-O 115.212 -2.328 . . . . 0.0 110.87 -178.131 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.21 0 O-C-N 127.62 3.075 . . . . 0.0 111.026 179.012 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.793 0 C-N-CA 127.404 2.282 . . . . 0.0 113.782 -177.149 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 125.935 2.022 . . . . 0.0 112.126 -179.878 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.347 0 CA-C-N 121.349 1.886 . . . . 0.0 114.858 179.9 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.26 1.613 0 C-N-CA 124.79 1.236 . . . . 0.0 111.428 179.549 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 178.932 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.238 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 178.257 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 O-C-N 124.843 1.339 . . . . 0.0 109.997 -178.654 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.348 0 CA-C-N 113.658 -1.61 . . . . 0.0 111.069 178.316 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.302 -1.494 0 C-N-CA 127.115 2.166 . . . . 0.0 112.507 -178.503 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 113.707 -1.588 . . . . 0.0 111.983 179.767 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.688 0 CA-C-O 116.786 -1.578 . . . . 0.0 111.704 -178.281 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 126.522 2.389 . . . . 0.0 107.578 178.844 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.056 0 C-N-CA 126.399 1.879 . . . . 0.0 113.126 179.265 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.633 -179.202 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-O 122.345 1.069 . . . . 0.0 108.213 178.119 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-O 116.576 -1.678 . . . . 0.0 112.117 179.073 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.501 0 N-CA-C 115.941 1.83 . . . . 0.0 115.941 -179.774 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 O-C-N 124.471 1.107 . . . . 0.0 111.094 -177.94 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.151 0 O-C-N 125.443 1.714 . . . . 0.0 111.334 -178.633 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.07 0 C-N-CA 127.293 2.237 . . . . 0.0 107.417 179.164 . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' A' A ' 500' ' ' MXT . . . . . 0.558 H221 ' O11' ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 600' ' ' MXT . . . . . 0.864 ' O11' H231 ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.561 ' CA ' H122 ' A' ' 500' ' ' MXT . 0.0 OUTLIER -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.962 ' H ' H122 ' A' ' 500' ' ' MXT . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.506 2.331 0 O-C-N 125.664 1.852 . . . . 0.0 106.831 168.529 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.74 1 O-C-N 129.217 4.272 . . . . 0.0 107.989 -172.063 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.948 0 CA-C-N 121.029 1.74 . . . . 0.0 112.622 179.681 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.18 0 CA-C-N 114.235 -1.348 . . . . 0.0 110.972 177.844 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.192 0 C-N-CA 126.988 2.115 . . . . 0.0 110.222 -177.401 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.462 0 O-C-N 120.886 -1.134 . . . . 0.0 109.846 -176.346 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.599 0 N-CA-C 105.952 -1.87 . . . . 0.0 105.952 -177.949 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 127.171 2.795 . . . . 0.0 107.799 -179.025 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.772 0 CA-C-O 115.432 -2.223 . . . . 0.0 106.456 178.083 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.554 1 O-C-N 130.648 4.968 . . . . 0.0 106.295 178.868 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.174 0 CA-C-O 113.719 -3.038 . . . . 0.0 105.877 -179.857 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-N 121.108 1.777 . . . . 0.0 110.037 -177.796 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 125.868 1.98 . . . . 0.0 105.794 -176.573 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.35 0 O-C-N 127.488 2.992 . . . . 0.0 112.729 -176.36 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.956 0 O-C-N 127.247 2.842 . . . . 0.0 112.248 177.625 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.914 0 O-C-N 119.035 -2.291 . . . . 0.0 111.877 -179.657 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.332 -0.193 0 O-C-N 126.666 2.478 . . . . 0.0 109.679 -174.875 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.716 0 C-N-CA 124.719 3.612 . . . . 0.0 111.906 179.733 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.477 0.882 0 CA-C-N 111.747 -2.479 . . . . 0.0 106.753 179.144 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.313 -1.293 0 O-C-N 127.529 3.383 . . . . 0.0 107.914 178.998 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.505 0 C-N-CA 121.833 1.688 . . . . 0.0 108.303 178.872 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.623 0 O-C-N 127.066 2.729 . . . . 0.0 112.157 179.938 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.995 0 C-N-CA 126.767 2.027 . . . . 0.0 114.9 -174.431 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.708 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 175.026 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 124.895 1.372 . . . . 0.0 113.634 -175.766 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.257 1.472 0 CA-C-O 117.382 -1.295 . . . . 0.0 112.77 -179.446 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.292 0 CA-C-N 121.807 2.094 . . . . 0.0 114.958 179.597 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.46 0 C-N-CA 122.118 1.879 . . . . 0.0 113.373 178.054 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.292 -1.897 0 C-N-CA 129.797 3.239 . . . . 0.0 112.237 178.908 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.05 0 O-C-N 119.348 -2.095 . . . . 0.0 109.572 177.923 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.359 0 CA-C-O 115.522 -2.18 . . . . 0.0 109.199 179.76 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 127.434 2.959 . . . . 0.0 109.391 179.579 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.213 0 O-C-N 120.27 -1.519 . . . . 0.0 112.887 177.19 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 122.04 0.924 . . . . 0.0 113.352 179.027 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.249 0 C-N-CA 126.437 1.895 . . . . 0.0 109.279 179.693 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.296 -1.736 0 O-C-N 125.11 1.506 . . . . 0.0 110.244 175.894 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.167 0 C-N-CA 127.058 2.143 . . . . 0.0 114.552 178.827 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.004 0 CA-C-O 117.127 -1.93 . . . . 0.0 112.382 178.469 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-N 118.126 0.963 . . . . 0.0 108.477 179.273 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 176.023 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.929 0 C-N-CA 123.968 0.907 . . . . 0.0 112.871 -179.504 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.256 1.44 0 N-CA-C 114.976 1.473 . . . . 0.0 114.976 -175.52 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.107 0 C-N-CA 125.022 1.329 . . . . 0.0 108.097 175.052 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 107.896 -1.149 . . . . 0.0 107.896 177.254 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.935 0 CA-C-N 114.285 -1.325 . . . . 0.0 110.063 -179.881 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-O 115.974 -1.965 . . . . 0.0 112.347 178.763 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.576 0 N-CA-C 116.546 2.054 . . . . 0.0 116.546 -174.901 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.614 0 CA-C-O 122.723 1.249 . . . . 0.0 112.354 -178.978 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.448 -1.194 0 C-N-CA 122.357 2.038 . . . . 0.0 115.109 -179.554 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 107.417 -1.327 . . . . 0.0 107.417 177.681 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.412 0 N-CA-C 115.178 1.548 . . . . 0.0 115.178 178.358 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.118 0 O-C-N 118.338 -2.726 . . . . 0.0 114.611 -179.083 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.319 0 N-CA-C 115.964 1.839 . . . . 0.0 115.964 179.72 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.063 0 CA-C-N 120.303 1.144 . . . . 0.0 114.9 -179.628 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.249 1.02 . . . . 0.0 112.015 179.823 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 O-C-N 125.084 1.49 . . . . 0.0 111.457 -179.703 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.255 1.351 0 N-CA-C 116.884 2.179 . . . . 0.0 116.884 179.158 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 127.677 2.391 . . . . 0.0 115.56 -178.111 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.842 0 N-CA-C 117.102 2.26 . . . . 0.0 117.102 -178.511 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.065 0 CA-C-O 115.644 -2.753 . . . . 0.0 118.847 177.66 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.29 -2.001 0 CA-C-N 124.193 3.996 . . . . 0.0 111.315 179.755 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-O 115.605 -2.141 . . . . 0.0 106.276 177.505 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.502 0 O-C-N 125.52 1.763 . . . . 0.0 107.624 -178.933 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.459 0 O-C-N 125.801 1.938 . . . . 0.0 111.445 -179.642 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-O 122.07 0.938 . . . . 0.0 110.705 179.412 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.038 0 N-CA-C 106.711 -1.588 . . . . 0.0 106.711 -179.889 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.266 1.949 0 O-C-N 126.02 2.075 . . . . 0.0 116.193 -179.833 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.813 0 CA-C-O 117.966 -1.016 . . . . 0.0 112.616 -178.29 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 2.015 0 N-CA-C 107.807 -2.117 . . . . 0.0 107.807 -178.388 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 125.341 2.496 . . . . 0.0 112.617 -177.805 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.863 0 CA-C-N 110.891 -2.868 . . . . 0.0 110.412 179.219 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -1.019 0 O-C-N 126.347 2.279 . . . . 0.0 105.415 176.633 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.393 0 N-CA-C 117.81 2.522 . . . . 0.0 117.81 -176.564 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 178.829 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 103.809 -2.663 . . . . 0.0 103.809 177.046 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 CA-C-N 112.017 -2.356 . . . . 0.0 108.002 -179.321 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.308 0 N-CA-C 118.557 2.183 . . . . 0.0 118.557 -178.251 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.243 0.73 0 O-C-N 121.415 -1.05 . . . . 0.0 112.23 -179.65 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.63 0 N-CA-C 112.605 0.595 . . . . 0.0 112.605 -177.173 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.838 0 CA-C-O 124.264 1.983 . . . . 0.0 110.089 -179.828 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.245 0.866 0 CA-C-N 113.446 -1.706 . . . . 0.0 108.43 -178.401 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 C--N 1.318 -0.423 0 CA-C-N 114.005 -1.452 . . . . 0.0 110.197 179.297 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 124.854 0.973 . . . . 0.0 110.003 179.904 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.247 0.955 0 CA-C-N 114.404 -1.271 . . . . 0.0 109.353 179.309 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.18 0 O-C-N 124.52 1.137 . . . . 0.0 110.203 178.862 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.852 0 N-CA-C 119.021 2.368 . . . . 0.0 119.021 -179.66 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.214 -0.815 0 O-C-N 120.912 -1.346 . . . . 0.0 109.107 179.506 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 178.604 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.898 0 O-C-N 125.644 1.84 . . . . 0.0 110.248 179.11 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.295 0.569 . . . . 0.0 111.908 -179.18 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 115.768 -2.063 . . . . 0.0 108.84 -177.948 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.906 0 O-C-N 127.275 2.86 . . . . 0.0 110.382 178.695 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-O 117.667 -1.158 . . . . 0.0 109.569 -179.677 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 O-C-N 128.124 3.39 . . . . 0.0 112.86 -177.713 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.264 0 O-C-N 125.078 1.486 . . . . 0.0 111.735 -178.096 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 123.901 0.88 . . . . 0.0 110.182 178.303 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.964 0 N-CA-C 118.05 2.611 . . . . 0.0 118.05 175.711 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.03 0 C-N-CA 124.056 0.942 . . . . 0.0 109.066 177.511 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 127.428 2.955 . . . . 0.0 111.395 -177.969 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.402 0 C-N-CA 130.012 3.325 . . . . 0.0 109.007 178.338 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.951 0 O-C-N 126.818 2.573 . . . . 0.0 113.742 -178.071 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 115.275 1.583 . . . . 0.0 115.275 -178.468 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 124.737 1.273 . . . . 0.0 109.964 178.507 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 123.988 0.915 . . . . 0.0 109.186 179.02 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 123.489 0.715 . . . . 0.0 112.731 -178.446 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 2.1 p -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-O 116.946 -1.502 . . . . 0.0 110.962 -177.878 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 CA-C-O 116.792 -1.575 . . . . 0.0 110.693 -176.908 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.252 1.186 0 CA-C-N 119.537 1.062 . . . . 0.0 112.83 -178.863 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 124.981 1.312 . . . . 0.0 111.646 -178.449 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 125.066 1.478 . . . . 0.0 108.268 -179.557 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.746 0 O-C-N 126.586 2.429 . . . . 0.0 111.64 -178.935 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 0.996 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.47 177.579 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.72 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -177.752 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.513 0 C-N-CA 125.678 1.591 . . . . 0.0 111.236 177.403 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 C--O 1.242 0.637 0 O-C-N 121.313 -0.867 . . . . 0.0 114.247 -179.439 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.612 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 179.224 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 119.831 -1.793 . . . . 0.0 109.65 -179.342 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.9 0 N-CA-C 116.384 1.994 . . . . 0.0 116.384 -176.947 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 125.317 1.636 . . . . 0.0 110.259 -176.646 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--O 1.211 -0.941 0 CA-C-N 112.531 -2.122 . . . . 0.0 108.261 176.079 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 N-CA-C 104.529 -2.397 . . . . 0.0 104.529 178.409 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 125.431 1.707 . . . . 0.0 108.286 -177.697 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.289 0 O-C-N 125.906 2.004 . . . . 0.0 110.966 -175.523 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.47 0 O-C-N 126.263 2.717 . . . . 0.0 115.074 -176.517 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.509 0 O-C-N 120.42 -1.425 . . . . 0.0 113.79 177.701 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.393 0 N-CA-C 115.637 1.717 . . . . 0.0 115.637 -177.009 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.264 1.828 0 CA-C-O 115.082 -2.39 . . . . 0.0 112.756 -178.68 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.648 0 CA-C-N 120.936 1.698 . . . . 0.0 114.837 -178.014 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.311 -1.084 0 C-N-CA 127.03 2.132 . . . . 0.0 111.188 -179.551 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 126.188 2.18 . . . . 0.0 110.469 -179.745 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 125.368 1.467 . . . . 0.0 107.071 177.889 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.738 0 C-N-CA 126.556 1.942 . . . . 0.0 112.58 179.034 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.18 0 CA-C-N 113.201 -1.818 . . . . 0.0 111.447 -177.702 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.11 0 C-N-CA 123.835 0.854 . . . . 0.0 113.179 -179.092 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 104.195 -2.52 . . . . 0.0 104.195 177.394 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 104.811 -2.292 . . . . 0.0 104.811 178.681 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 128.533 3.646 . . . . 0.0 116.995 -175.635 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.341 0 N-CA-C 105.29 -3.124 . . . . 0.0 105.29 177.061 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.356 0 O-C-N 128.52 3.13 . . . . 0.0 106.501 179.791 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.845 0 C-N-CA 118.922 -1.111 . . . . 0.0 112.722 -177.65 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.793 0 N-CA-C 109.776 -0.454 . . . . 0.0 109.776 177.523 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.244 0.793 0 CA-C-O 122.451 1.12 . . . . 0.0 108.061 176.476 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.285 0 C-N-CA 121.458 1.439 . . . . 0.0 111.884 -179.727 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 177.008 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 105.336 -2.098 . . . . 0.0 105.336 177.525 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 122.765 1.269 . . . . 0.0 110.095 -176.92 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.25 1.145 0 CA-C-N 112.671 -2.059 . . . . 0.0 112.8 177.867 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.309 -1.182 0 CA-C-N 118.157 0.978 . . . . 0.0 110.73 -179.871 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.923 0 O-C-N 123.501 1.264 . . . . 0.0 111.636 177.5 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 103.173 -2.899 . . . . 0.0 103.173 178.887 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.337 0 O-C-N 126.873 2.608 . . . . 0.0 112.187 -179.304 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.44 -1.675 0 N-CA-C 107.54 -1.754 . . . . 0.0 107.54 -178.984 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.953 0 O-C-N 128.136 3.398 . . . . 0.0 102.993 179.58 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.977 0 CA-C-O 115.983 -1.961 . . . . 0.0 108.825 178.913 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.544 1.873 0 N-CA-C 104.073 -3.611 . . . . 0.0 104.073 -178.845 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.525 0 CA-C-O 115.65 -2.119 . . . . 0.0 109.496 179.814 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.737 0 N-CA-C 103.682 -2.71 . . . . 0.0 103.682 -175.622 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.088 0 O-C-N 127.747 3.154 . . . . 0.0 113.483 -178.524 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 106.322 -1.733 . . . . 0.0 106.322 -177.969 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.501 2.969 0 O-C-N 126.275 2.235 . . . . 0.0 107.621 -178.749 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 120.808 -1.407 . . . . 0.0 110.271 179.579 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.293 0 N-CA-C 100.647 -3.835 . . . . 0.0 100.647 -177.537 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.298 0 CA-C-O 115.229 -2.071 . . . . 0.0 112.068 179.027 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.272 -2.787 0 CA-C-N 120.717 1.599 . . . . 0.0 109.589 177.774 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.423 0 CA-C-N 112.806 -1.997 . . . . 0.0 110.584 178.347 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.318 0 O-C-N 120.925 -1.109 . . . . 0.0 110.409 178.568 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.156 0 O-C-N 125.822 1.952 . . . . 0.0 110.243 -178.319 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.071 0 O-C-N 126.995 2.684 . . . . 0.0 106.999 178.962 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.484 -1.594 0 CA-C-O 122.232 1.015 . . . . 0.0 112.964 177.926 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.88 0 O-C-N 117.486 -3.258 . . . . 0.0 114.568 179.655 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.809 0 O-C-N 125.614 1.821 . . . . 0.0 108.129 179.505 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.299 -1.603 1 O-C-N 129.247 4.092 . . . . 0.0 109.738 179.178 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 120.067 -1.645 . . . . 0.0 111.869 179.076 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.529 0 C-N-CA 125.126 1.37 . . . . 0.0 112.739 178.769 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.042 0 C-N-CA 127.992 2.711 . . . . 0.0 114.314 -178.849 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.273 2.293 0 C-N-CA 128.26 2.624 . . . . 0.0 111.528 -178.06 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 C-N-CA 117.596 -1.642 . . . . 0.0 107.434 179.54 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.086 0 CA-C-O 117.283 -1.341 . . . . 0.0 109.027 -179.901 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.307 0 C-N-CA 122.829 2.352 . . . . 0.0 111.74 178.873 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.249 1.028 0 O-C-N 118.672 -2.518 . . . . 0.0 115.69 -177.18 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.035 0 C-N-CA 126.635 1.974 . . . . 0.0 110.897 179.624 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.506 -0.914 0 C-N-CA 123.453 2.768 . . . . 0.0 115.496 176.959 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-N 121.254 1.843 . . . . 0.0 113.445 177.993 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 124.956 1.302 . . . . 0.0 107.998 -179.956 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.839 0 C-N-CA 119.102 -1.039 . . . . 0.0 109.736 179.111 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.561 -0.712 . . . . 0.0 109.307 179.113 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 114.198 -1.365 . . . . 0.0 109.728 179.839 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 119.577 1.08 . . . . 0.0 111.998 -177.972 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-O 117.064 -1.446 . . . . 0.0 111.811 -178.025 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 115.04 1.496 . . . . 0.0 115.04 -178.898 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.258 1.523 0 CA-C-N 114.552 -1.204 . . . . 0.0 109.117 179.775 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.309 -1.171 0 CA-C-O 124.877 2.275 . . . . 0.0 109.432 178.347 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.027 0 CA-C-N 112.751 -2.022 . . . . 0.0 111.294 178.753 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 121.138 1.79 . . . . 0.0 112.779 179.833 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.253 1.28 0 CA-C-O 118.4 -0.81 . . . . 0.0 112.268 -176.315 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 O-C-N 124.147 0.905 . . . . 0.0 109.108 -179.334 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.307 -1.239 0 CA-C-O 115.185 -2.34 . . . . 0.0 110.866 -178.099 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.229 0 O-C-N 127.551 3.032 . . . . 0.0 111.029 178.979 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.294 -1.807 0 C-N-CA 127.45 2.3 . . . . 0.0 113.762 -177.181 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 125.971 2.045 . . . . 0.0 112.2 -179.898 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.367 0 CA-C-N 121.297 1.862 . . . . 0.0 114.821 179.833 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.583 0 C-N-CA 124.75 1.22 . . . . 0.0 111.439 179.533 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 178.918 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.216 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 178.228 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 O-C-N 124.825 1.328 . . . . 0.0 110.039 -178.631 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 113.629 -1.623 . . . . 0.0 111.048 178.304 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.302 -1.498 0 C-N-CA 127.083 2.153 . . . . 0.0 112.514 -178.528 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 113.729 -1.578 . . . . 0.0 111.97 179.819 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-O 116.738 -1.601 . . . . 0.0 111.66 -178.29 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 126.551 2.407 . . . . 0.0 107.535 178.92 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.041 0 C-N-CA 126.413 1.885 . . . . 0.0 113.171 179.249 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.612 -179.202 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.189 0 O-C-N 124.45 1.093 . . . . 0.0 108.223 178.106 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 116.556 -1.688 . . . . 0.0 112.095 179.074 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.512 0 N-CA-C 115.897 1.814 . . . . 0.0 115.897 -179.736 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 O-C-N 124.456 1.098 . . . . 0.0 111.157 -177.937 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.137 0 O-C-N 125.405 1.691 . . . . 0.0 111.335 -178.673 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.08 0 C-N-CA 127.234 2.214 . . . . 0.0 107.425 179.095 . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' A' A ' 500' ' ' MXT . . . . . 0.962 H122 ' H ' ' A' ' 42' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 600' ' ' MXT . . . . . 0.765 H231 ' O12' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.77 ' CA ' H122 ' A' ' 500' ' ' MXT . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 1.033 ' N ' ' C12' ' A' ' 500' ' ' MXT . 43.1 t -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 1.11 ' H ' H122 ' A' ' 500' ' ' MXT . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.506 2.335 0 O-C-N 125.664 1.852 . . . . 0.0 106.857 169.76 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.731 1 O-C-N 129.206 4.266 . . . . 0.0 107.931 -173.717 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.901 0 CA-C-N 121.002 1.728 . . . . 0.0 112.626 179.945 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.502 2.167 0 CA-C-N 114.245 -1.343 . . . . 0.0 110.892 179.645 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.163 0 C-N-CA 126.95 2.1 . . . . 0.0 110.237 -175.739 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.256 1.419 0 O-C-N 120.895 -1.128 . . . . 0.0 109.803 -170.828 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.563 0 N-CA-C 105.881 -1.896 . . . . 0.0 105.881 -177.022 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 127.179 2.8 . . . . 0.0 107.794 179.255 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.782 0 CA-C-O 115.399 -2.238 . . . . 0.0 106.479 179.038 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.557 1 O-C-N 130.719 5.012 . . . . 0.0 106.307 177.297 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.157 0 CA-C-O 113.728 -3.034 . . . . 0.0 105.831 -179.773 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.434 0 CA-C-N 121.17 1.804 . . . . 0.0 110.037 -177.786 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.294 -1.809 0 O-C-N 125.844 1.965 . . . . 0.0 105.775 -176.568 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.254 1.339 0 O-C-N 127.521 3.013 . . . . 0.0 112.76 -176.366 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.956 0 O-C-N 127.172 2.795 . . . . 0.0 112.206 177.695 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 122.192 2.269 . . . . 0.0 111.904 -179.644 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--O 1.225 -0.212 0 O-C-N 126.654 2.471 . . . . 0.0 109.674 -174.884 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--O 1.243 0.744 0 C-N-CA 124.668 3.579 . . . . 0.0 111.967 179.67 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.835 0 CA-C-N 111.757 -2.474 . . . . 0.0 106.728 179.151 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.268 0 O-C-N 127.538 3.388 . . . . 0.0 107.873 179.021 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.511 0 C-N-CA 121.858 1.705 . . . . 0.0 108.308 178.838 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.61 0 O-C-N 127.067 2.729 . . . . 0.0 112.151 179.922 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.987 0 C-N-CA 126.741 2.017 . . . . 0.0 114.871 -174.424 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.701 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 174.973 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.305 -1.344 0 C-N-CA 125.076 1.351 . . . . 0.0 113.65 -175.809 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.408 0 CA-C-O 117.41 -1.281 . . . . 0.0 112.798 -179.391 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.253 1.269 0 CA-C-N 121.731 2.06 . . . . 0.0 114.892 179.655 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.473 0 C-N-CA 122.128 1.886 . . . . 0.0 113.317 178.111 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.896 0 C-N-CA 129.783 3.233 . . . . 0.0 112.279 178.846 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.052 0 O-C-N 119.47 -2.019 . . . . 0.0 109.548 177.961 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.559 1.322 0 CA-C-O 115.59 -2.148 . . . . 0.0 109.259 179.73 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 127.42 2.95 . . . . 0.0 109.418 179.559 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.216 0 O-C-N 120.318 -1.489 . . . . 0.0 112.867 177.189 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-O 122.028 0.918 . . . . 0.0 113.372 179.015 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.266 0 C-N-CA 126.479 1.911 . . . . 0.0 109.305 179.705 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 125.123 1.514 . . . . 0.0 110.263 175.827 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.269 2.104 0 C-N-CA 127.101 2.16 . . . . 0.0 114.598 178.863 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.027 0 CA-C-O 117.086 -1.952 . . . . 0.0 112.342 178.478 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-N 118.134 0.967 . . . . 0.0 108.526 179.239 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 176.03 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.961 0 C-N-CA 123.946 0.899 . . . . 0.0 112.837 -179.481 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.469 0 N-CA-C 114.965 1.468 . . . . 0.0 114.965 -175.525 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.31 -1.109 0 C-N-CA 125.048 1.339 . . . . 0.0 108.082 175.084 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 177.26 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.959 0 CA-C-N 114.268 -1.333 . . . . 0.0 110.062 -179.864 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-O 115.923 -1.989 . . . . 0.0 112.302 178.807 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.577 0 C-N-CA 126.86 2.064 . . . . 0.0 116.504 -174.878 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.606 0 CA-C-O 122.773 1.273 . . . . 0.0 112.264 -178.876 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 122.408 2.072 . . . . 0.0 115.113 -179.545 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 177.637 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.433 0 N-CA-C 115.211 1.56 . . . . 0.0 115.211 178.305 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.497 -1.081 0 O-C-N 118.337 -2.727 . . . . 0.0 114.637 -179.098 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.328 0 N-CA-C 115.93 1.826 . . . . 0.0 115.93 179.73 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 CA-C-N 120.316 1.148 . . . . 0.0 114.871 -179.622 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.27 1.028 . . . . 0.0 112.055 179.831 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 O-C-N 125.09 1.494 . . . . 0.0 111.506 -179.742 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.255 1.35 0 N-CA-C 116.907 2.188 . . . . 0.0 116.907 179.107 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 127.665 2.386 . . . . 0.0 115.545 -178.085 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.861 0 N-CA-C 117.107 2.262 . . . . 0.0 117.107 -178.545 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.09 0 CA-C-O 115.688 -2.729 . . . . 0.0 118.873 177.663 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.947 0 CA-C-N 124.155 3.978 . . . . 0.0 111.397 179.716 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-O 115.622 -2.132 . . . . 0.0 106.291 177.497 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.509 0 O-C-N 125.528 1.768 . . . . 0.0 107.604 -178.917 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.489 0 O-C-N 125.809 1.943 . . . . 0.0 111.459 -179.644 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-O 122.127 0.965 . . . . 0.0 110.695 179.442 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.037 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 -179.883 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.266 1.967 0 O-C-N 126.043 2.089 . . . . 0.0 116.228 -179.86 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.785 0 CA-C-O 117.91 -1.043 . . . . 0.0 112.574 -178.238 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 2.004 0 N-CA-C 107.801 -2.119 . . . . 0.0 107.801 -178.412 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 125.342 2.496 . . . . 0.0 112.662 -177.807 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.859 0 CA-C-N 110.908 -2.86 . . . . 0.0 110.427 179.195 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.314 -0.967 0 O-C-N 126.349 2.28 . . . . 0.0 105.458 176.604 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.39 0 N-CA-C 117.806 2.521 . . . . 0.0 117.806 -176.548 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 178.831 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 103.797 -2.668 . . . . 0.0 103.797 177.09 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 CA-C-N 111.997 -2.365 . . . . 0.0 107.981 -179.3 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.301 0 N-CA-C 118.542 2.177 . . . . 0.0 118.542 -178.239 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.241 0.658 0 O-C-N 121.466 -1.02 . . . . 0.0 112.249 -179.612 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.692 0 O-C-N 123.662 0.601 . . . . 0.0 112.615 -177.192 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.844 0 CA-C-O 124.178 1.942 . . . . 0.0 110.085 -179.805 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.894 0 CA-C-N 113.417 -1.72 . . . . 0.0 108.371 -178.343 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.463 0.464 0 CA-C-N 114.058 -1.428 . . . . 0.0 110.198 179.258 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 124.844 0.967 . . . . 0.0 110.04 179.939 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 1.012 0 CA-C-N 114.339 -1.3 . . . . 0.0 109.352 179.319 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.482 1.156 0 O-C-N 124.511 1.132 . . . . 0.0 110.219 178.83 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 CA--C 1.501 -0.829 0 N-CA-C 119.025 2.37 . . . . 0.0 119.025 -179.683 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.214 -0.809 0 O-C-N 120.899 -1.354 . . . . 0.0 109.116 179.488 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 107.124 -1.435 . . . . 0.0 107.124 178.587 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.871 0 O-C-N 125.632 1.832 . . . . 0.0 110.236 179.122 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.293 0.568 . . . . 0.0 111.86 -179.163 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 115.704 -2.093 . . . . 0.0 108.795 -177.895 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.894 0 O-C-N 127.272 2.858 . . . . 0.0 110.368 178.727 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 117.634 -1.174 . . . . 0.0 109.544 -179.655 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 O-C-N 128.182 3.426 . . . . 0.0 112.823 -177.706 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.276 0 O-C-N 125.096 1.497 . . . . 0.0 111.748 -178.086 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 123.861 0.865 . . . . 0.0 110.175 178.269 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 118.055 2.613 . . . . 0.0 118.055 175.67 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.051 0 C-N-CA 124.103 0.961 . . . . 0.0 109.071 177.52 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 127.412 2.945 . . . . 0.0 111.378 -177.92 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.305 -1.357 0 C-N-CA 130.008 3.323 . . . . 0.0 109.001 178.281 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.949 0 O-C-N 126.801 2.563 . . . . 0.0 113.734 -178.116 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 115.258 1.577 . . . . 0.0 115.258 -178.421 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 124.742 1.276 . . . . 0.0 109.985 178.499 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.394 0 C-N-CA 124.019 0.927 . . . . 0.0 109.22 179.043 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 123.482 0.713 . . . . 0.0 112.728 -178.479 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 3.8 p -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-O 116.957 -1.497 . . . . 0.0 110.983 -177.86 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.68 0 CA-C-O 116.76 -1.59 . . . . 0.0 110.726 -176.96 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.25 1.126 0 CA-C-N 119.513 1.051 . . . . 0.0 112.882 -178.911 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 124.956 1.302 . . . . 0.0 111.72 -178.521 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 125.066 1.479 . . . . 0.0 108.256 -179.541 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 126.585 2.428 . . . . 0.0 111.596 -178.951 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.016 0 C-N-CA 120.202 -0.599 . . . . 0.0 110.504 177.565 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -177.713 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.524 0 C-N-CA 125.7 1.6 . . . . 0.0 111.275 177.385 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 C--O 1.243 0.69 0 O-C-N 121.24 -0.912 . . . . 0.0 114.229 -179.429 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.602 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 179.256 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 119.8 -1.813 . . . . 0.0 109.676 -179.319 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 116.318 1.969 . . . . 0.0 116.318 -176.969 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 125.192 1.558 . . . . 0.0 110.327 -176.632 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--O 1.212 -0.908 0 CA-C-N 112.55 -2.114 . . . . 0.0 108.302 176.001 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 N-CA-C 104.525 -2.398 . . . . 0.0 104.525 178.488 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 125.418 1.699 . . . . 0.0 108.284 -177.685 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.277 0 O-C-N 125.911 2.007 . . . . 0.0 110.974 -175.54 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.474 -2.493 0 O-C-N 126.233 2.701 . . . . 0.0 115.076 -176.506 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.538 0 O-C-N 120.398 -1.439 . . . . 0.0 113.819 177.682 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.363 0 N-CA-C 115.609 1.707 . . . . 0.0 115.609 -176.955 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.264 1.828 0 CA-C-O 115.102 -2.38 . . . . 0.0 112.836 -178.727 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.649 0 CA-C-N 120.932 1.696 . . . . 0.0 114.854 -178.072 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.311 -1.088 0 C-N-CA 127.117 2.167 . . . . 0.0 111.153 -179.542 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 O-C-N 126.246 2.216 . . . . 0.0 110.474 -179.707 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 107.062 -1.459 . . . . 0.0 107.062 177.918 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.261 1.71 0 C-N-CA 126.568 1.947 . . . . 0.0 112.63 179.002 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.144 0 CA-C-N 113.179 -1.828 . . . . 0.0 111.411 -177.705 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.125 0 C-N-CA 123.809 0.843 . . . . 0.0 113.145 -179.082 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 104.209 -2.515 . . . . 0.0 104.209 177.442 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 104.807 -2.294 . . . . 0.0 104.807 178.701 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 128.533 3.646 . . . . 0.0 116.998 -175.615 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.584 4.35 0 N-CA-C 105.303 -3.119 . . . . 0.0 105.303 177.074 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.357 0 O-C-N 128.506 3.121 . . . . 0.0 106.571 179.748 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.846 0 C-N-CA 118.923 -1.111 . . . . 0.0 112.683 -177.587 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.757 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.555 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.244 0.803 0 CA-C-O 122.486 1.136 . . . . 0.0 108.068 176.422 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 121.477 1.451 . . . . 0.0 111.816 -179.678 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 176.981 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 105.346 -2.094 . . . . 0.0 105.346 177.503 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 122.791 1.281 . . . . 0.0 110.068 -176.914 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.166 0 CA-C-N 112.685 -2.052 . . . . 0.0 112.773 178.259 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.208 0 CA-C-N 118.202 1.001 . . . . 0.0 110.715 179.553 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.957 0 O-C-N 123.486 1.256 . . . . 0.0 111.633 177.778 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.052 0 N-CA-C 103.149 -2.908 . . . . 0.0 103.149 178.969 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.306 -1.315 0 O-C-N 126.915 2.635 . . . . 0.0 112.221 -179.226 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.701 0 N-CA-C 107.577 -1.74 . . . . 0.0 107.577 -178.96 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.952 0 O-C-N 128.099 3.374 . . . . 0.0 103.002 179.42 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.996 0 CA-C-O 116.01 -1.948 . . . . 0.0 108.775 178.328 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.843 0 N-CA-C 104.113 -3.595 . . . . 0.0 104.113 -179.866 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.257 1.485 0 CA-C-O 115.73 -2.081 . . . . 0.0 109.482 -179.408 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.737 0 N-CA-C 103.727 -2.694 . . . . 0.0 103.727 -176.411 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.072 0 O-C-N 127.791 3.182 . . . . 0.0 113.559 -176.965 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 -177.197 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.915 0 O-C-N 126.272 2.232 . . . . 0.0 107.615 -178.987 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 120.283 -1.716 . . . . 0.0 110.271 -179.356 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.322 0 N-CA-C 100.64 -3.837 . . . . 0.0 100.64 172.704 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.297 0 CA-C-O 115.184 -2.09 . . . . 0.0 112.088 -178.524 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.82 0 CA-C-N 120.742 1.61 . . . . 0.0 109.581 177.775 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.444 0 CA-C-N 112.853 -1.976 . . . . 0.0 110.617 178.26 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.432 -1.332 0 O-C-N 120.918 -1.114 . . . . 0.0 110.44 178.548 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.159 0 O-C-N 125.738 1.899 . . . . 0.0 110.274 -178.372 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.077 0 O-C-N 127.087 2.742 . . . . 0.0 107.053 178.966 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.607 0 CA-C-O 122.221 1.01 . . . . 0.0 112.933 177.878 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.918 0 O-C-N 117.48 -3.262 . . . . 0.0 114.634 179.668 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.792 0 O-C-N 125.592 1.807 . . . . 0.0 108.167 179.448 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.299 -1.598 1 O-C-N 129.254 4.096 . . . . 0.0 109.742 179.178 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 120.019 -1.676 . . . . 0.0 111.818 179.119 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.3 -1.546 0 C-N-CA 125.163 1.385 . . . . 0.0 112.771 178.742 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.037 0 C-N-CA 127.99 2.709 . . . . 0.0 114.326 -179.049 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.283 0 C-N-CA 128.214 2.605 . . . . 0.0 111.515 179.789 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 C-N-CA 117.571 -1.652 . . . . 0.0 107.425 178.422 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.085 0 CA-C-O 117.297 -1.335 . . . . 0.0 108.991 -179.989 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.298 0 C-N-CA 122.866 2.377 . . . . 0.0 111.795 179.816 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.007 0 O-C-N 118.654 -2.529 . . . . 0.0 115.733 -177.508 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.053 0 C-N-CA 126.648 1.979 . . . . 0.0 110.921 178.905 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.504 -0.979 0 C-N-CA 123.397 2.731 . . . . 0.0 115.52 -179.085 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 121.329 1.877 . . . . 0.0 113.39 178.038 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.316 -0.852 0 C-N-CA 124.99 1.316 . . . . 0.0 108.01 -179.994 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.246 0.871 0 C-N-CA 119.132 -1.027 . . . . 0.0 109.702 179.132 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.626 -0.671 . . . . 0.0 109.29 179.161 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 114.214 -1.357 . . . . 0.0 109.717 179.867 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 119.578 1.081 . . . . 0.0 111.962 -177.947 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-O 117.079 -1.438 . . . . 0.0 111.846 -178.033 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 115.06 1.504 . . . . 0.0 115.06 -178.874 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.256 1.446 0 CA-C-N 114.565 -1.198 . . . . 0.0 109.173 179.706 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-O 124.898 2.285 . . . . 0.0 109.437 178.294 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.499 -1.004 0 CA-C-N 112.761 -2.018 . . . . 0.0 111.319 178.799 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.733 0 CA-C-N 121.108 1.776 . . . . 0.0 112.742 179.828 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.307 0 CA-C-O 118.429 -0.795 . . . . 0.0 112.303 -176.326 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 O-C-N 124.093 0.871 . . . . 0.0 109.111 -179.292 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-O 115.167 -2.349 . . . . 0.0 110.846 -178.101 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.22 0 O-C-N 127.608 3.067 . . . . 0.0 110.995 179.013 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.296 -1.755 0 C-N-CA 127.4 2.28 . . . . 0.0 113.801 -177.152 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 125.965 2.04 . . . . 0.0 112.2 -179.936 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.366 0 CA-C-N 121.327 1.876 . . . . 0.0 114.851 179.845 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.258 1.527 0 C-N-CA 124.766 1.226 . . . . 0.0 111.426 179.564 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 179.004 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 178.21 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 O-C-N 124.791 1.307 . . . . 0.0 110.02 -178.665 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 113.684 -1.598 . . . . 0.0 111.041 178.351 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.502 0 C-N-CA 127.13 2.172 . . . . 0.0 112.509 -178.559 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 113.697 -1.592 . . . . 0.0 111.976 179.79 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-O 116.724 -1.607 . . . . 0.0 111.639 -178.286 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 126.528 2.392 . . . . 0.0 107.548 178.9 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.437 -1.081 0 C-N-CA 126.418 1.887 . . . . 0.0 113.134 179.299 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.644 -179.227 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 124.474 1.109 . . . . 0.0 108.195 178.13 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-O 116.578 -1.677 . . . . 0.0 112.133 179.041 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.257 1.495 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 -179.75 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 O-C-N 124.464 1.103 . . . . 0.0 111.15 -177.961 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.111 0 O-C-N 125.47 1.731 . . . . 0.0 111.378 -178.667 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.067 0 C-N-CA 127.275 2.23 . . . . 0.0 107.432 179.108 . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' A' A ' 500' ' ' MXT . . . . . 1.11 H122 ' H ' ' A' ' 42' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 600' ' ' MXT . . . . . 0.927 H231 ' O11' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 31.5 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.3 0 O-C-N 125.664 1.852 . . . . 0.0 106.863 166.077 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.723 1 O-C-N 129.167 4.246 . . . . 0.0 107.999 -173.426 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.936 0 CA-C-N 121.022 1.737 . . . . 0.0 112.664 -177.933 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.189 0 CA-C-N 114.228 -1.351 . . . . 0.0 110.926 -176.373 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.21 0 C-N-CA 127.033 2.133 . . . . 0.0 110.294 -176.943 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.454 0 O-C-N 120.917 -1.114 . . . . 0.0 109.848 177.613 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.599 0 N-CA-C 105.917 -1.882 . . . . 0.0 105.917 -175.632 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 127.13 2.769 . . . . 0.0 107.791 179.789 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.777 0 CA-C-O 115.396 -2.24 . . . . 0.0 106.471 -179.019 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.558 1 O-C-N 130.701 5.001 . . . . 0.0 106.287 170.413 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.119 0 CA-C-O 113.699 -3.048 . . . . 0.0 105.886 -179.841 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-N 121.153 1.797 . . . . 0.0 110.064 -177.779 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 125.871 1.982 . . . . 0.0 105.842 -176.625 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.393 0 O-C-N 127.515 3.01 . . . . 0.0 112.743 -176.333 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.267 2.005 0 O-C-N 127.21 2.818 . . . . 0.0 112.226 177.665 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 122.176 2.262 . . . . 0.0 111.88 -179.617 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.331 -0.222 0 O-C-N 126.638 2.462 . . . . 0.0 109.743 -174.924 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--O 1.242 0.695 0 C-N-CA 124.68 3.587 . . . . 0.0 111.932 179.725 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.475 0.823 0 CA-C-N 111.736 -2.484 . . . . 0.0 106.736 179.178 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.248 0 O-C-N 127.475 3.355 . . . . 0.0 107.914 178.958 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.548 0 C-N-CA 121.863 1.709 . . . . 0.0 108.288 178.873 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.581 0 O-C-N 127.106 2.754 . . . . 0.0 112.152 179.942 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.291 -1.951 0 C-N-CA 126.731 2.012 . . . . 0.0 114.901 -174.467 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.702 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 175.023 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.304 0 O-C-N 124.898 1.374 . . . . 0.0 113.639 -175.787 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.415 0 CA-C-O 117.419 -1.277 . . . . 0.0 112.807 -179.401 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.322 0 CA-C-N 121.688 2.04 . . . . 0.0 114.931 179.618 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.495 0 C-N-CA 122.158 1.905 . . . . 0.0 113.302 178.107 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.87 0 C-N-CA 129.837 3.255 . . . . 0.0 112.317 178.835 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.028 0 O-C-N 119.444 -2.035 . . . . 0.0 109.496 177.997 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.33 0 CA-C-O 115.586 -2.149 . . . . 0.0 109.241 179.749 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 127.419 2.949 . . . . 0.0 109.427 179.552 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.199 0 O-C-N 120.273 -1.517 . . . . 0.0 112.878 177.195 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 122.045 0.926 . . . . 0.0 113.336 179.041 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.263 0 C-N-CA 126.514 1.926 . . . . 0.0 109.276 179.698 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 125.087 1.492 . . . . 0.0 110.258 175.869 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.269 2.093 0 C-N-CA 127.053 2.141 . . . . 0.0 114.605 178.839 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.026 0 CA-C-O 117.108 -1.94 . . . . 0.0 112.341 178.433 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.446 0 CA-C-N 118.143 0.971 . . . . 0.0 108.485 179.298 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 176.044 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.924 0 C-N-CA 123.915 0.886 . . . . 0.0 112.915 -179.511 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.478 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 -175.549 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.092 0 C-N-CA 125.0 1.32 . . . . 0.0 108.077 175.12 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.315 -0.913 0 O-C-N 124.564 1.165 . . . . 0.0 107.94 177.234 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.969 0 CA-C-N 114.293 -1.321 . . . . 0.0 110.067 -179.911 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-O 116.021 -1.943 . . . . 0.0 112.334 178.785 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.278 -2.535 0 C-N-CA 126.862 2.065 . . . . 0.0 116.549 -174.859 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.602 0 CA-C-O 122.739 1.257 . . . . 0.0 112.297 -178.937 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 122.359 2.039 . . . . 0.0 115.117 -179.533 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 177.615 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.435 0 N-CA-C 115.223 1.564 . . . . 0.0 115.223 178.248 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.099 0 O-C-N 118.372 -2.705 . . . . 0.0 114.635 -179.092 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.305 0 N-CA-C 115.997 1.851 . . . . 0.0 115.997 179.661 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.067 0 CA-C-N 120.293 1.141 . . . . 0.0 114.845 -179.61 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.266 1.026 . . . . 0.0 111.994 179.88 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 O-C-N 125.044 1.465 . . . . 0.0 111.475 -179.705 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.317 0 N-CA-C 116.958 2.207 . . . . 0.0 116.958 179.082 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 127.654 2.382 . . . . 0.0 115.558 -178.059 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.862 0 N-CA-C 117.159 2.281 . . . . 0.0 117.159 -178.566 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.093 0 CA-C-O 115.664 -2.742 . . . . 0.0 118.874 177.68 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.944 0 CA-C-N 124.181 3.991 . . . . 0.0 111.405 179.684 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-O 115.621 -2.133 . . . . 0.0 106.251 177.559 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.52 0 O-C-N 125.484 1.74 . . . . 0.0 107.641 -179.005 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.466 0 O-C-N 125.78 1.925 . . . . 0.0 111.449 -179.626 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-O 122.128 0.966 . . . . 0.0 110.704 179.407 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.041 0 N-CA-C 106.741 -1.577 . . . . 0.0 106.741 -179.9 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 1.992 0 O-C-N 126.015 2.072 . . . . 0.0 116.208 -179.834 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.264 1.829 0 CA-C-O 117.892 -1.051 . . . . 0.0 112.594 -178.263 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 1.969 0 N-CA-C 107.817 -2.113 . . . . 0.0 107.817 -178.421 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 125.338 2.494 . . . . 0.0 112.65 -177.811 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.246 0.87 0 CA-C-N 110.882 -2.872 . . . . 0.0 110.415 179.184 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -0.981 0 O-C-N 126.399 2.312 . . . . 0.0 105.449 176.575 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.386 0 N-CA-C 117.761 2.504 . . . . 0.0 117.761 -176.538 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 178.788 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 103.82 -2.659 . . . . 0.0 103.82 177.015 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 CA-C-N 112.012 -2.358 . . . . 0.0 108.038 -179.337 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.321 0 N-CA-C 118.55 2.18 . . . . 0.0 118.55 -178.247 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.696 0 O-C-N 121.488 -1.007 . . . . 0.0 112.254 -179.657 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.26 1.625 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -177.188 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 124.242 1.972 . . . . 0.0 110.053 -179.783 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.91 0 CA-C-N 113.399 -1.728 . . . . 0.0 108.354 -178.351 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.463 0.484 0 CA-C-N 114.065 -1.425 . . . . 0.0 110.178 179.29 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 124.856 0.974 . . . . 0.0 110.097 179.885 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 1.019 0 CA-C-N 114.314 -1.312 . . . . 0.0 109.318 179.307 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.484 1.269 0 O-C-N 124.549 1.156 . . . . 0.0 110.172 178.871 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.31 -0.872 0 N-CA-C 119.028 2.371 . . . . 0.0 119.028 -179.628 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.853 0 O-C-N 120.885 -1.362 . . . . 0.0 109.071 179.499 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.297 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 178.675 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.903 0 O-C-N 125.708 1.88 . . . . 0.0 110.28 179.126 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.31 0.576 . . . . 0.0 111.854 -179.16 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 115.732 -2.08 . . . . 0.0 108.758 -177.874 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.293 -1.883 0 O-C-N 127.266 2.854 . . . . 0.0 110.375 178.76 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 117.675 -1.155 . . . . 0.0 109.582 -179.703 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 O-C-N 128.161 3.413 . . . . 0.0 112.864 -177.715 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.279 0 O-C-N 125.132 1.52 . . . . 0.0 111.687 -178.071 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 123.867 0.867 . . . . 0.0 110.219 178.234 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.938 0 N-CA-C 118.051 2.611 . . . . 0.0 118.051 175.715 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.048 0 C-N-CA 124.134 0.974 . . . . 0.0 109.064 177.471 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 127.427 2.954 . . . . 0.0 111.33 -177.937 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 130.007 3.323 . . . . 0.0 108.974 178.331 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.246 0.905 0 O-C-N 126.761 2.538 . . . . 0.0 113.799 -178.178 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 115.258 1.577 . . . . 0.0 115.258 -178.393 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 124.763 1.29 . . . . 0.0 109.971 178.53 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.303 -1.441 0 C-N-CA 124.059 0.943 . . . . 0.0 109.208 179.029 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.315 -0.892 0 C-N-CA 123.535 0.734 . . . . 0.0 112.731 -178.51 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-O 117.023 -1.465 . . . . 0.0 110.981 -177.816 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 CA-C-O 116.753 -1.594 . . . . 0.0 110.703 -176.926 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.167 0 CA-C-N 119.574 1.079 . . . . 0.0 112.889 -178.92 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 124.915 1.286 . . . . 0.0 111.706 -178.511 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 125.075 1.484 . . . . 0.0 108.316 -179.592 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.295 -1.769 0 O-C-N 126.546 2.404 . . . . 0.0 111.641 -178.975 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.019 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.475 177.583 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.75 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 -177.76 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 125.675 1.59 . . . . 0.0 111.262 177.381 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 C--O 1.243 0.664 0 O-C-N 121.335 -0.853 . . . . 0.0 114.218 -179.442 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.509 -0.628 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 179.232 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 119.795 -1.816 . . . . 0.0 109.637 -179.344 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 116.345 1.98 . . . . 0.0 116.345 -176.906 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 125.222 1.576 . . . . 0.0 110.305 -176.634 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 112.512 -2.131 . . . . 0.0 108.281 176.007 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 N-CA-C 104.498 -2.408 . . . . 0.0 104.498 178.491 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 125.437 1.711 . . . . 0.0 108.318 -177.668 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.278 0 O-C-N 125.883 1.989 . . . . 0.0 110.979 -175.532 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.467 0 O-C-N 126.258 2.715 . . . . 0.0 115.011 -176.517 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.543 0 O-C-N 120.384 -1.447 . . . . 0.0 113.805 177.691 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.254 1.338 0 N-CA-C 115.652 1.723 . . . . 0.0 115.652 -176.998 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.264 1.832 0 CA-C-O 115.047 -2.406 . . . . 0.0 112.779 -178.728 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.643 0 CA-C-N 120.955 1.707 . . . . 0.0 114.82 -177.992 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.311 -1.082 0 C-N-CA 127.065 2.146 . . . . 0.0 111.203 -179.588 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 O-C-N 126.236 2.21 . . . . 0.0 110.485 -179.734 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 125.365 1.466 . . . . 0.0 107.044 177.914 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.261 1.708 0 C-N-CA 126.583 1.953 . . . . 0.0 112.557 179.081 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.252 1.193 0 CA-C-N 113.209 -1.814 . . . . 0.0 111.372 -177.673 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.309 -1.157 0 C-N-CA 123.873 0.869 . . . . 0.0 113.17 -179.054 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 104.124 -2.546 . . . . 0.0 104.124 177.489 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 104.865 -2.272 . . . . 0.0 104.865 178.628 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 128.543 3.652 . . . . 0.0 116.957 -175.607 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.584 4.354 0 N-CA-C 105.313 -3.115 . . . . 0.0 105.313 177.095 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.36 0 O-C-N 128.511 3.124 . . . . 0.0 106.487 179.809 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.816 0 C-N-CA 118.928 -1.109 . . . . 0.0 112.696 -177.646 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.742 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 177.527 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.244 0.806 0 CA-C-O 122.399 1.095 . . . . 0.0 108.095 176.451 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 121.457 1.438 . . . . 0.0 111.872 -179.729 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 177.028 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 105.367 -2.086 . . . . 0.0 105.367 177.476 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 122.828 1.299 . . . . 0.0 110.151 -176.887 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.25 1.132 0 CA-C-N 112.631 -2.077 . . . . 0.0 112.776 179.807 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.309 -1.191 0 CA-C-N 118.145 0.972 . . . . 0.0 110.727 179.938 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 O-C-N 123.465 1.245 . . . . 0.0 111.633 177.161 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.038 0 N-CA-C 103.12 -2.918 . . . . 0.0 103.12 178.408 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.337 0 O-C-N 126.861 2.601 . . . . 0.0 112.228 -178.928 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.44 -1.656 0 N-CA-C 107.558 -1.747 . . . . 0.0 107.558 -179.516 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.971 0 O-C-N 128.146 3.403 . . . . 0.0 103.022 177.937 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.266 1.963 0 CA-C-O 115.996 -1.954 . . . . 0.0 108.795 -177.107 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 C--N 1.293 -1.827 0 N-CA-C 104.117 -3.593 . . . . 0.0 104.117 178.261 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.527 0 CA-C-O 115.668 -2.11 . . . . 0.0 109.452 -177.309 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.569 1.705 0 N-CA-C 103.684 -2.71 . . . . 0.0 103.684 -178.813 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.088 0 O-C-N 127.69 3.119 . . . . 0.0 113.541 -179.736 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 106.31 -1.737 . . . . 0.0 106.31 -177.468 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.963 0 O-C-N 126.305 2.253 . . . . 0.0 107.593 -179.536 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.294 -2.297 . . . . 0.0 110.271 -177.577 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.336 0 N-CA-C 100.617 -3.846 . . . . 0.0 100.617 -177.198 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.294 0 CA-C-O 115.223 -2.074 . . . . 0.0 112.103 177.925 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.824 0 CA-C-N 120.713 1.597 . . . . 0.0 109.596 177.789 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.427 0 CA-C-N 112.859 -1.973 . . . . 0.0 110.594 178.306 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.285 0 O-C-N 120.94 -1.1 . . . . 0.0 110.438 178.533 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.166 0 O-C-N 125.78 1.925 . . . . 0.0 110.326 -178.405 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.289 -2.057 0 O-C-N 127.084 2.74 . . . . 0.0 107.056 178.967 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.608 0 CA-C-O 122.2 1.0 . . . . 0.0 112.927 177.902 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.877 0 O-C-N 117.482 -3.262 . . . . 0.0 114.574 179.661 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.805 0 O-C-N 125.605 1.815 . . . . 0.0 108.192 179.474 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.563 1 O-C-N 129.24 4.088 . . . . 0.0 109.716 179.204 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 120.022 -1.674 . . . . 0.0 111.832 179.133 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.302 -1.489 0 C-N-CA 125.127 1.371 . . . . 0.0 112.747 178.775 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.038 0 C-N-CA 128.026 2.727 . . . . 0.0 114.322 -179.346 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.273 2.293 0 C-N-CA 128.304 2.642 . . . . 0.0 111.519 -178.368 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 C-N-CA 117.611 -1.636 . . . . 0.0 107.399 179.877 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.097 0 CA-C-O 117.328 -1.32 . . . . 0.0 109.002 -179.88 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 N--CA 1.49 1.3 0 C-N-CA 122.838 2.358 . . . . 0.0 111.774 178.765 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 1.002 0 O-C-N 118.597 -2.565 . . . . 0.0 115.716 -178.095 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.046 0 C-N-CA 126.603 1.961 . . . . 0.0 110.955 178.409 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.926 0 C-N-CA 123.424 2.749 . . . . 0.0 115.511 179.229 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-N 121.245 1.838 . . . . 0.0 113.457 178.009 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 124.921 1.288 . . . . 0.0 108.031 -179.978 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.246 0.869 0 C-N-CA 119.038 -1.065 . . . . 0.0 109.766 179.082 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.611 -0.681 . . . . 0.0 109.312 179.08 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 C--O 1.244 0.793 0 CA-C-N 114.234 -1.348 . . . . 0.0 109.725 179.848 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 119.572 1.078 . . . . 0.0 111.934 -177.96 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-O 117.083 -1.437 . . . . 0.0 111.861 -178.016 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 -178.899 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.256 1.438 0 CA-C-N 114.592 -1.185 . . . . 0.0 109.209 179.728 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-O 124.88 2.276 . . . . 0.0 109.45 178.292 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.022 0 CA-C-N 112.687 -2.051 . . . . 0.0 111.275 178.784 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.733 0 CA-C-N 121.143 1.792 . . . . 0.0 112.788 179.898 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.254 1.3 0 CA-C-O 118.423 -0.799 . . . . 0.0 112.287 -176.347 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 O-C-N 124.125 0.891 . . . . 0.0 109.111 -179.348 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-O 115.259 -2.305 . . . . 0.0 110.893 -178.101 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.309 -1.185 0 O-C-N 127.537 3.023 . . . . 0.0 111.015 178.996 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.294 -1.816 0 C-N-CA 127.384 2.274 . . . . 0.0 113.767 -177.154 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 126.001 2.063 . . . . 0.0 112.148 -179.881 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.402 0 CA-C-N 121.314 1.87 . . . . 0.0 114.787 179.818 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.582 0 C-N-CA 124.771 1.228 . . . . 0.0 111.413 179.594 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 107.159 -1.423 . . . . 0.0 107.159 178.956 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 178.237 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 O-C-N 124.823 1.327 . . . . 0.0 109.999 -178.65 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.357 0 CA-C-N 113.628 -1.624 . . . . 0.0 111.068 178.32 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 127.166 2.186 . . . . 0.0 112.495 -178.507 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 113.703 -1.589 . . . . 0.0 111.975 179.769 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-O 116.787 -1.578 . . . . 0.0 111.684 -178.288 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 126.509 2.381 . . . . 0.0 107.59 178.891 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.437 -1.078 0 C-N-CA 126.419 1.888 . . . . 0.0 113.145 179.253 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.116 -0.947 . . . . 0.0 109.621 -179.236 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.174 0 O-C-N 124.454 1.096 . . . . 0.0 108.261 178.112 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 116.515 -1.707 . . . . 0.0 112.102 179.054 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.513 0 N-CA-C 115.893 1.812 . . . . 0.0 115.893 -179.761 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 O-C-N 124.506 1.129 . . . . 0.0 111.111 -177.92 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.311 -1.102 0 O-C-N 125.449 1.718 . . . . 0.0 111.374 -178.673 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.071 0 C-N-CA 127.264 2.226 . . . . 0.0 107.425 179.159 . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' A' A ' 500' ' ' MXT . . . . . 0.857 H231 ' O11' ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 600' ' ' MXT . . . . . 0.76 H231 ' O12' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.438 ' HB2' ' O12' ' A' ' 500' ' ' MXT . 28.9 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.506 2.334 0 O-C-N 125.664 1.852 . . . . 0.0 106.847 168.168 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.723 1 O-C-N 129.146 4.234 . . . . 0.0 107.981 -175.338 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.909 0 CA-C-N 121.019 1.736 . . . . 0.0 112.606 -178.16 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.176 0 CA-C-N 114.208 -1.36 . . . . 0.0 110.928 -176.852 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.208 0 C-N-CA 126.998 2.119 . . . . 0.0 110.248 -176.56 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.469 0 O-C-N 120.862 -1.148 . . . . 0.0 109.841 176.535 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.589 0 N-CA-C 105.947 -1.872 . . . . 0.0 105.947 -175.496 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 127.137 2.773 . . . . 0.0 107.812 179.288 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.784 0 CA-C-O 115.432 -2.223 . . . . 0.0 106.484 177.48 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.551 1 O-C-N 130.693 4.995 . . . . 0.0 106.302 178.488 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.142 0 CA-C-O 113.792 -3.004 . . . . 0.0 105.861 -179.856 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-N 121.127 1.785 . . . . 0.0 110.027 -177.793 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 125.871 1.982 . . . . 0.0 105.791 -176.628 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.347 0 O-C-N 127.538 3.024 . . . . 0.0 112.76 -176.379 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.952 0 O-C-N 127.228 2.83 . . . . 0.0 112.26 177.641 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.314 -0.938 0 O-C-N 119.057 -2.277 . . . . 0.0 111.909 -179.669 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--O 1.224 -0.24 0 O-C-N 126.669 2.481 . . . . 0.0 109.727 -174.923 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--O 1.242 0.712 0 C-N-CA 124.616 3.544 . . . . 0.0 111.929 179.761 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.855 0 CA-C-N 111.76 -2.473 . . . . 0.0 106.725 179.178 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.313 -1.299 0 O-C-N 127.498 3.367 . . . . 0.0 107.923 178.964 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.546 0 CA-C-O 116.159 -1.684 . . . . 0.0 108.336 178.878 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.428 -1.564 0 O-C-N 127.03 2.706 . . . . 0.0 112.116 179.975 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -2.004 0 C-N-CA 126.809 2.044 . . . . 0.0 114.893 -174.43 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.707 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 174.98 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.304 0 O-C-N 124.904 1.378 . . . . 0.0 113.683 -175.817 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.427 0 CA-C-O 117.37 -1.3 . . . . 0.0 112.746 -179.382 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.326 0 CA-C-N 121.744 2.065 . . . . 0.0 114.947 179.597 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.311 -1.443 0 C-N-CA 122.165 1.91 . . . . 0.0 113.354 178.07 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.292 -1.91 0 C-N-CA 129.773 3.229 . . . . 0.0 112.282 178.84 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.039 0 O-C-N 119.451 -2.031 . . . . 0.0 109.565 177.962 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.559 1.322 0 CA-C-O 115.588 -2.148 . . . . 0.0 109.242 179.699 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 127.386 2.929 . . . . 0.0 109.395 179.586 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.253 1.26 0 O-C-N 120.313 -1.492 . . . . 0.0 112.818 177.197 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 122.068 0.937 . . . . 0.0 113.314 179.076 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.262 0 C-N-CA 126.475 1.91 . . . . 0.0 109.242 179.798 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 125.064 1.477 . . . . 0.0 110.223 175.865 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.269 2.131 0 C-N-CA 127.064 2.146 . . . . 0.0 114.582 178.881 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.01 0 CA-C-O 117.094 -1.948 . . . . 0.0 112.335 178.443 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-N 118.128 0.964 . . . . 0.0 108.449 179.305 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 107.265 -1.383 . . . . 0.0 107.265 176.027 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.96 0 C-N-CA 123.923 0.889 . . . . 0.0 112.835 -179.508 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.454 0 N-CA-C 114.965 1.468 . . . . 0.0 114.965 -175.512 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.31 -1.119 0 C-N-CA 125.069 1.347 . . . . 0.0 108.123 175.071 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.877 0 O-C-N 124.53 1.144 . . . . 0.0 107.935 177.233 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.956 0 CA-C-N 114.282 -1.326 . . . . 0.0 110.079 -179.896 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-O 115.956 -1.973 . . . . 0.0 112.302 178.793 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.582 0 N-CA-C 116.578 2.066 . . . . 0.0 116.578 -174.903 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.587 0 CA-C-O 122.776 1.275 . . . . 0.0 112.283 -178.935 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 122.395 2.063 . . . . 0.0 115.112 -179.522 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 177.656 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.408 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 178.354 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.124 0 O-C-N 118.351 -2.718 . . . . 0.0 114.626 -179.06 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.295 0 N-CA-C 115.988 1.847 . . . . 0.0 115.988 179.715 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.029 0 CA-C-N 120.265 1.13 . . . . 0.0 114.891 -179.614 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.284 1.034 . . . . 0.0 112.015 179.83 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 O-C-N 125.128 1.518 . . . . 0.0 111.477 -179.727 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.255 1.361 0 N-CA-C 116.907 2.188 . . . . 0.0 116.907 179.131 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 127.576 2.35 . . . . 0.0 115.605 -178.123 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.861 0 N-CA-C 117.089 2.255 . . . . 0.0 117.089 -178.524 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.061 0 CA-C-O 115.72 -2.711 . . . . 0.0 118.935 177.675 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.938 0 CA-C-N 124.112 3.956 . . . . 0.0 111.359 179.741 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-O 115.658 -2.115 . . . . 0.0 106.254 177.495 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.302 -1.488 0 O-C-N 125.464 1.727 . . . . 0.0 107.635 -179.013 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.485 0 O-C-N 125.748 1.905 . . . . 0.0 111.458 -179.631 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-O 122.061 0.934 . . . . 0.0 110.722 179.417 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.05 0 N-CA-C 106.735 -1.58 . . . . 0.0 106.735 -179.899 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 1.993 0 O-C-N 126.048 2.093 . . . . 0.0 116.175 -179.836 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.794 0 CA-C-O 117.916 -1.04 . . . . 0.0 112.616 -178.281 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.485 1.957 0 N-CA-C 107.807 -2.117 . . . . 0.0 107.807 -178.39 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 125.291 2.472 . . . . 0.0 112.724 -177.868 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.245 0.857 0 CA-C-N 110.916 -2.856 . . . . 0.0 110.415 179.197 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -0.987 0 O-C-N 126.349 2.281 . . . . 0.0 105.438 176.626 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.254 1.339 0 N-CA-C 117.822 2.527 . . . . 0.0 117.822 -176.542 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 178.837 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 103.854 -2.647 . . . . 0.0 103.854 177.048 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 CA-C-N 111.979 -2.373 . . . . 0.0 107.985 -179.277 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.318 0 N-CA-C 118.551 2.181 . . . . 0.0 118.551 -178.265 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.66 0 O-C-N 121.427 -1.043 . . . . 0.0 112.242 -179.684 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.699 0 O-C-N 123.671 0.607 . . . . 0.0 112.575 -177.127 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.875 0 CA-C-O 124.239 1.971 . . . . 0.0 110.042 -179.799 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.893 0 CA-C-N 113.39 -1.732 . . . . 0.0 108.416 -178.4 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 C--N 1.318 -0.431 0 CA-C-N 114.074 -1.421 . . . . 0.0 110.192 179.252 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 124.823 0.955 . . . . 0.0 110.032 179.939 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 1.024 0 CA-C-N 114.355 -1.293 . . . . 0.0 109.353 179.272 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.211 0 O-C-N 124.502 1.126 . . . . 0.0 110.198 178.892 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.311 -0.857 0 N-CA-C 119.046 2.378 . . . . 0.0 119.046 -179.691 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.842 0 O-C-N 120.89 -1.359 . . . . 0.0 109.107 179.463 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.289 0 N-CA-C 107.059 -1.46 . . . . 0.0 107.059 178.67 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.266 1.935 0 O-C-N 125.678 1.861 . . . . 0.0 110.233 179.138 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.332 0.587 . . . . 0.0 111.913 -179.176 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 115.741 -2.076 . . . . 0.0 108.789 -177.943 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.292 -1.905 0 O-C-N 127.302 2.877 . . . . 0.0 110.377 178.754 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-O 117.653 -1.165 . . . . 0.0 109.597 -179.704 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 O-C-N 128.198 3.436 . . . . 0.0 112.85 -177.76 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.253 1.252 0 O-C-N 125.09 1.494 . . . . 0.0 111.76 -178.087 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 123.848 0.859 . . . . 0.0 110.214 178.266 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.292 -1.921 0 N-CA-C 118.046 2.61 . . . . 0.0 118.046 175.687 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.065 0 C-N-CA 124.131 0.972 . . . . 0.0 109.107 177.486 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 127.394 2.934 . . . . 0.0 111.372 -177.885 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 129.938 3.295 . . . . 0.0 109.005 178.263 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.935 0 O-C-N 126.789 2.555 . . . . 0.0 113.749 -178.076 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 115.254 1.576 . . . . 0.0 115.254 -178.39 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 124.736 1.273 . . . . 0.0 109.929 178.536 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 123.992 0.917 . . . . 0.0 109.189 179.009 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.877 0 C-N-CA 123.488 0.715 . . . . 0.0 112.696 -178.454 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-O 116.966 -1.492 . . . . 0.0 111.005 -177.842 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 CA-C-O 116.73 -1.605 . . . . 0.0 110.69 -176.959 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.252 1.186 0 CA-C-N 119.62 1.1 . . . . 0.0 112.777 -178.85 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.475 0 C-N-CA 124.992 1.317 . . . . 0.0 111.694 -178.456 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 125.056 1.472 . . . . 0.0 108.273 -179.552 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 126.589 2.431 . . . . 0.0 111.642 -178.973 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 1.016 0 C-N-CA 120.119 -0.632 . . . . 0.0 110.522 177.552 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 114.309 1.226 . . . . 0.0 114.309 -177.778 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 125.663 1.585 . . . . 0.0 111.226 177.422 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.466 0.693 0 O-C-N 121.298 -0.876 . . . . 0.0 114.228 -179.43 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 179.205 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 119.816 -1.803 . . . . 0.0 109.691 -179.389 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 116.393 1.997 . . . . 0.0 116.393 -176.997 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 125.278 1.611 . . . . 0.0 110.313 -176.653 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 112.488 -2.142 . . . . 0.0 108.278 176.003 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 N-CA-C 104.48 -2.415 . . . . 0.0 104.48 178.48 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 125.407 1.692 . . . . 0.0 108.321 -177.714 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.291 0 O-C-N 125.895 1.997 . . . . 0.0 110.986 -175.548 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.457 0 O-C-N 126.257 2.714 . . . . 0.0 115.025 -176.49 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.259 1.569 0 O-C-N 120.427 -1.42 . . . . 0.0 113.857 177.646 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.255 1.391 0 N-CA-C 115.611 1.708 . . . . 0.0 115.611 -177.007 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.263 1.801 0 CA-C-O 115.09 -2.386 . . . . 0.0 112.78 -178.633 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.61 0 CA-C-N 120.942 1.701 . . . . 0.0 114.865 -178.072 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.057 0 C-N-CA 127.093 2.157 . . . . 0.0 111.164 -179.523 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 O-C-N 126.194 2.184 . . . . 0.0 110.455 -179.697 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 107.052 -1.462 . . . . 0.0 107.052 177.891 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.733 0 C-N-CA 126.582 1.953 . . . . 0.0 112.603 179.053 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.137 0 CA-C-N 113.168 -1.833 . . . . 0.0 111.476 -177.749 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.127 0 C-N-CA 123.83 0.852 . . . . 0.0 113.137 -179.102 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 104.198 -2.519 . . . . 0.0 104.198 177.43 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 104.785 -2.302 . . . . 0.0 104.785 178.697 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 128.53 3.644 . . . . 0.0 116.993 -175.629 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.34 0 N-CA-C 105.315 -3.114 . . . . 0.0 105.315 177.085 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.273 2.331 0 O-C-N 128.511 3.124 . . . . 0.0 106.553 179.749 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.825 0 C-N-CA 118.923 -1.111 . . . . 0.0 112.672 -177.587 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.769 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 177.512 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.244 0.795 0 CA-C-O 122.473 1.13 . . . . 0.0 108.096 176.414 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.302 0 C-N-CA 121.445 1.43 . . . . 0.0 111.894 -179.717 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 177.06 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 105.376 -2.083 . . . . 0.0 105.376 177.51 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 122.796 1.284 . . . . 0.0 110.12 -176.891 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.25 1.149 0 CA-C-N 112.626 -2.079 . . . . 0.0 112.779 179.33 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.236 0 CA-C-N 118.187 0.994 . . . . 0.0 110.704 179.836 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.916 0 O-C-N 123.48 1.253 . . . . 0.0 111.637 177.187 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 103.21 -2.885 . . . . 0.0 103.21 178.557 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.332 0 O-C-N 126.842 2.589 . . . . 0.0 112.237 -179.001 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.44 -1.645 0 N-CA-C 107.535 -1.756 . . . . 0.0 107.535 -179.071 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.936 0 O-C-N 128.116 3.385 . . . . 0.0 103.0 179.558 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 2.001 0 CA-C-O 116.005 -1.95 . . . . 0.0 108.814 -179.613 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.808 0 N-CA-C 104.076 -3.61 . . . . 0.0 104.076 -179.084 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.257 1.498 0 CA-C-O 115.695 -2.098 . . . . 0.0 109.497 -178.031 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.717 0 N-CA-C 103.711 -2.7 . . . . 0.0 103.711 -178.553 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.498 -1.041 0 O-C-N 127.717 3.136 . . . . 0.0 113.543 -179.592 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 106.357 -1.72 . . . . 0.0 106.357 -177.69 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.501 2.977 0 O-C-N 126.313 2.258 . . . . 0.0 107.645 -179.42 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 119.019 -2.459 . . . . 0.0 110.271 -177.678 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.254 1.342 1 O-C-N 113.511 -5.743 . . . . 0.0 100.632 -169.515 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.272 0 CA-C-O 115.174 -2.094 . . . . 0.0 112.082 176.839 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.835 0 CA-C-N 120.74 1.609 . . . . 0.0 109.548 177.818 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.399 0 CA-C-N 112.825 -1.988 . . . . 0.0 110.639 178.297 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.307 0 O-C-N 120.971 -1.081 . . . . 0.0 110.458 178.538 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.165 0 O-C-N 125.816 1.947 . . . . 0.0 110.27 -178.365 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.07 0 O-C-N 127.045 2.716 . . . . 0.0 107.026 178.941 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.606 0 CA-C-O 122.233 1.016 . . . . 0.0 112.91 177.936 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.905 0 O-C-N 117.399 -3.313 . . . . 0.0 114.562 179.708 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.571 1.786 0 O-C-N 125.633 1.833 . . . . 0.0 108.138 179.496 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.299 -1.6 1 O-C-N 129.233 4.083 . . . . 0.0 109.772 179.175 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 119.982 -1.699 . . . . 0.0 111.873 179.051 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 125.109 1.363 . . . . 0.0 112.785 178.75 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.29 -2.008 0 C-N-CA 127.969 2.7 . . . . 0.0 114.303 177.63 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.276 0 C-N-CA 128.282 2.633 . . . . 0.0 111.505 178.233 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 C-N-CA 117.58 -1.648 . . . . 0.0 107.387 177.79 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.287 -2.115 0 CA-C-O 117.249 -1.358 . . . . 0.0 109.014 -179.82 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.312 0 C-N-CA 122.869 2.38 . . . . 0.0 111.717 176.706 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.248 0.975 0 O-C-N 118.691 -2.506 . . . . 0.0 115.675 -179.05 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.063 0 C-N-CA 126.592 1.957 . . . . 0.0 110.913 -176.601 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.957 0 C-N-CA 123.409 2.739 . . . . 0.0 115.537 177.709 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 121.279 1.854 . . . . 0.0 113.438 177.994 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 124.968 1.307 . . . . 0.0 107.985 -179.993 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.85 0 C-N-CA 119.053 -1.059 . . . . 0.0 109.723 179.134 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.632 -0.667 . . . . 0.0 109.279 179.111 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 114.232 -1.349 . . . . 0.0 109.709 179.892 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 119.529 1.059 . . . . 0.0 111.976 -177.947 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-O 117.122 -1.418 . . . . 0.0 111.893 -178.047 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 115.081 1.511 . . . . 0.0 115.081 -178.973 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.258 1.505 0 CA-C-N 114.565 -1.198 . . . . 0.0 109.163 179.734 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.309 -1.171 0 CA-C-O 124.885 2.278 . . . . 0.0 109.439 178.28 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.022 0 CA-C-N 112.738 -2.028 . . . . 0.0 111.33 178.746 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.753 0 CA-C-N 121.095 1.77 . . . . 0.0 112.744 179.842 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.255 1.356 0 CA-C-O 118.43 -0.795 . . . . 0.0 112.271 -176.306 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 O-C-N 124.085 0.866 . . . . 0.0 109.155 -179.376 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-O 115.175 -2.345 . . . . 0.0 110.902 -178.162 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.307 -1.24 0 O-C-N 127.631 3.082 . . . . 0.0 111.031 178.977 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.774 0 C-N-CA 127.454 2.302 . . . . 0.0 113.745 -177.108 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 125.993 2.058 . . . . 0.0 112.198 -179.909 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.255 1.413 0 CA-C-N 121.359 1.89 . . . . 0.0 114.795 179.874 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.589 0 C-N-CA 124.765 1.226 . . . . 0.0 111.429 179.595 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 178.896 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 178.197 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 O-C-N 124.805 1.316 . . . . 0.0 110.037 -178.678 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 113.641 -1.618 . . . . 0.0 110.995 178.351 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 127.149 2.18 . . . . 0.0 112.521 -178.501 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 113.655 -1.612 . . . . 0.0 111.917 179.814 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-O 116.747 -1.597 . . . . 0.0 111.624 -178.209 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 126.491 2.369 . . . . 0.0 107.553 178.892 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.03 0 C-N-CA 126.379 1.871 . . . . 0.0 113.108 179.301 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.611 -179.2 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.309 -1.17 0 O-C-N 124.445 1.091 . . . . 0.0 108.249 178.132 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 116.605 -1.664 . . . . 0.0 112.095 179.084 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.534 0 N-CA-C 115.921 1.823 . . . . 0.0 115.921 -179.718 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 O-C-N 124.446 1.092 . . . . 0.0 111.11 -177.902 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.131 0 O-C-N 125.46 1.725 . . . . 0.0 111.403 -178.698 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.069 0 C-N-CA 127.267 2.227 . . . . 0.0 107.407 179.15 . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' A' A ' 500' ' ' MXT . . . . . 0.623 ' O11' H231 ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 600' ' ' MXT . . . . . 0.516 ' O11' ' C22' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.694 ' O ' ' O11' ' A' ' 500' ' ' MXT . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 1.002 ' CA ' H122 ' A' ' 500' ' ' MXT . 29.2 m -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 1.04 ' H ' H121 ' A' ' 500' ' ' MXT . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.506 2.331 0 O-C-N 125.664 1.852 . . . . 0.0 106.857 168.529 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.497 1.726 1 O-C-N 129.193 4.26 . . . . 0.0 107.999 -175.262 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.92 0 CA-C-N 120.999 1.727 . . . . 0.0 112.65 -177.89 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.503 2.209 0 CA-C-N 114.205 -1.361 . . . . 0.0 110.965 -178.027 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.219 0 C-N-CA 126.995 2.118 . . . . 0.0 110.217 -177.008 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.462 0 O-C-N 120.881 -1.137 . . . . 0.0 109.804 -179.953 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.578 0 N-CA-C 105.938 -1.875 . . . . 0.0 105.938 -177.804 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 127.178 2.799 . . . . 0.0 107.84 179.206 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.571 1.777 0 CA-C-O 115.401 -2.238 . . . . 0.0 106.507 179.131 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 C--N 1.277 -2.549 1 O-C-N 130.692 4.995 . . . . 0.0 106.304 176.822 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.145 0 CA-C-O 113.797 -3.001 . . . . 0.0 105.882 -179.849 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.446 0 CA-C-N 121.17 1.805 . . . . 0.0 110.032 -177.747 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.78 0 O-C-N 125.943 2.027 . . . . 0.0 105.817 -176.619 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.254 1.321 0 O-C-N 127.522 3.014 . . . . 0.0 112.722 -176.343 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.944 0 O-C-N 127.188 2.805 . . . . 0.0 112.272 177.674 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.316 -0.89 0 O-C-N 119.073 -2.267 . . . . 0.0 111.889 -179.667 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.332 -0.169 0 O-C-N 126.689 2.493 . . . . 0.0 109.7 -174.854 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.722 0 C-N-CA 124.743 3.628 . . . . 0.0 111.89 179.718 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.847 0 CA-C-N 111.773 -2.467 . . . . 0.0 106.724 179.19 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.315 -1.226 0 O-C-N 127.441 3.337 . . . . 0.0 107.893 178.983 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.5 0 O-C-N 124.308 1.689 . . . . 0.0 108.366 178.844 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.589 0 O-C-N 127.043 2.715 . . . . 0.0 112.16 179.994 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.995 0 C-N-CA 126.715 2.006 . . . . 0.0 114.918 -174.467 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.57 1.716 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 175.028 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.306 -1.294 0 O-C-N 124.927 1.392 . . . . 0.0 113.695 -175.783 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.413 0 CA-C-O 117.415 -1.279 . . . . 0.0 112.79 -179.447 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.253 1.286 0 CA-C-N 121.749 2.068 . . . . 0.0 114.946 179.61 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.311 -1.41 0 C-N-CA 122.136 1.891 . . . . 0.0 113.347 178.064 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--O 1.265 1.9 0 C-N-CA 129.758 3.223 . . . . 0.0 112.279 178.897 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.053 0 O-C-N 119.364 -2.085 . . . . 0.0 109.552 177.941 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.334 0 CA-C-O 115.622 -2.132 . . . . 0.0 109.279 179.671 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 127.367 2.917 . . . . 0.0 109.406 179.595 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.253 1.256 0 O-C-N 120.278 -1.514 . . . . 0.0 112.904 177.107 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 122.002 0.906 . . . . 0.0 113.323 179.053 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.306 -1.303 0 C-N-CA 126.485 1.914 . . . . 0.0 109.233 179.726 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.295 -1.788 0 O-C-N 125.145 1.528 . . . . 0.0 110.258 175.867 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.174 0 C-N-CA 127.082 2.153 . . . . 0.0 114.552 178.842 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.005 0 CA-C-O 117.041 -1.977 . . . . 0.0 112.331 178.466 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 118.171 0.985 . . . . 0.0 108.505 179.22 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 176.079 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.248 0.987 0 C-N-CA 123.913 0.885 . . . . 0.0 112.855 -179.491 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.477 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 -175.568 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.311 -1.109 0 C-N-CA 125.083 1.353 . . . . 0.0 108.122 175.102 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.888 0 O-C-N 124.499 1.125 . . . . 0.0 107.979 177.211 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.211 -0.947 0 CA-C-N 114.361 -1.29 . . . . 0.0 110.072 -179.893 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-O 115.976 -1.964 . . . . 0.0 112.273 178.835 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.581 0 C-N-CA 126.905 2.082 . . . . 0.0 116.511 -174.858 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.483 -1.603 0 CA-C-O 122.702 1.239 . . . . 0.0 112.327 -178.894 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.448 -1.198 0 C-N-CA 122.347 2.031 . . . . 0.0 115.146 -179.566 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 107.521 -1.289 . . . . 0.0 107.521 177.616 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.256 1.441 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 178.33 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.496 -1.116 0 O-C-N 118.32 -2.738 . . . . 0.0 114.645 -179.102 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.255 1.346 0 N-CA-C 115.928 1.825 . . . . 0.0 115.928 179.713 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.504 -1.022 0 CA-C-N 120.319 1.15 . . . . 0.0 114.85 -179.601 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.219 1.007 . . . . 0.0 112.047 179.861 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 O-C-N 125.063 1.477 . . . . 0.0 111.507 -179.769 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.255 1.352 0 N-CA-C 116.905 2.187 . . . . 0.0 116.905 179.082 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 127.611 2.365 . . . . 0.0 115.551 -177.997 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.246 0.89 0 N-CA-C 117.11 2.263 . . . . 0.0 117.11 -178.527 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.076 0 CA-C-O 115.737 -2.702 . . . . 0.0 118.92 177.688 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.291 -1.922 0 CA-C-N 124.122 3.961 . . . . 0.0 111.379 179.706 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-O 115.589 -2.148 . . . . 0.0 106.29 177.54 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.301 -1.514 0 O-C-N 125.512 1.758 . . . . 0.0 107.665 -178.969 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.481 0 O-C-N 125.792 1.933 . . . . 0.0 111.528 -179.728 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-O 122.131 0.967 . . . . 0.0 110.721 179.422 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.04 0 N-CA-C 106.716 -1.587 . . . . 0.0 106.716 -179.904 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 1.986 0 O-C-N 126.034 2.084 . . . . 0.0 116.215 -179.813 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.802 0 CA-C-O 117.951 -1.023 . . . . 0.0 112.554 -178.253 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.486 1.984 0 N-CA-C 107.806 -2.117 . . . . 0.0 107.806 -178.438 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 125.378 2.513 . . . . 0.0 112.682 -177.842 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.246 0.904 0 CA-C-N 110.879 -2.873 . . . . 0.0 110.411 179.264 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.313 -0.997 0 O-C-N 126.396 2.31 . . . . 0.0 105.392 176.642 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.387 0 N-CA-C 117.83 2.53 . . . . 0.0 117.83 -176.609 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.829 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 103.775 -2.676 . . . . 0.0 103.775 177.115 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 CA-C-N 112.032 -2.349 . . . . 0.0 108.039 -179.353 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.253 1.319 0 N-CA-C 118.539 2.176 . . . . 0.0 118.539 -178.207 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.243 0.73 0 O-C-N 121.449 -1.03 . . . . 0.0 112.237 -179.685 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.664 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -177.196 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.496 1.866 0 CA-C-O 124.232 1.967 . . . . 0.0 110.046 -179.78 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.246 0.869 0 CA-C-N 113.417 -1.72 . . . . 0.0 108.404 -178.435 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.463 0.496 0 CA-C-N 114.045 -1.434 . . . . 0.0 110.156 179.291 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 124.813 0.949 . . . . 0.0 110.045 179.904 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.247 0.944 0 CA-C-N 114.324 -1.307 . . . . 0.0 109.364 179.286 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.216 0 O-C-N 124.601 1.188 . . . . 0.0 110.215 178.864 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 C--N 1.31 -0.862 0 N-CA-C 119.022 2.369 . . . . 0.0 119.022 -179.657 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.818 0 O-C-N 120.885 -1.362 . . . . 0.0 109.105 179.5 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 178.607 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.889 0 O-C-N 125.742 1.901 . . . . 0.0 110.248 179.125 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.308 0.575 . . . . 0.0 111.905 -179.171 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 115.78 -2.057 . . . . 0.0 108.804 -177.915 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.293 -1.881 0 O-C-N 127.248 2.842 . . . . 0.0 110.327 178.74 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 117.67 -1.157 . . . . 0.0 109.558 -179.675 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 O-C-N 128.132 3.395 . . . . 0.0 112.836 -177.709 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.254 1.297 0 O-C-N 125.141 1.526 . . . . 0.0 111.691 -178.051 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 123.892 0.877 . . . . 0.0 110.208 178.271 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.958 0 N-CA-C 118.045 2.609 . . . . 0.0 118.045 175.662 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.045 0 C-N-CA 124.127 0.971 . . . . 0.0 109.123 177.48 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 127.389 2.931 . . . . 0.0 111.381 -177.957 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.377 0 C-N-CA 129.986 3.314 . . . . 0.0 108.987 178.336 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.96 0 O-C-N 126.757 2.536 . . . . 0.0 113.78 -178.15 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 115.298 1.592 . . . . 0.0 115.298 -178.45 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 124.787 1.304 . . . . 0.0 109.897 178.549 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.388 0 C-N-CA 124.047 0.939 . . . . 0.0 109.191 179.003 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.885 0 C-N-CA 123.468 0.707 . . . . 0.0 112.705 -178.474 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.239 0 CA-C-O 116.963 -1.494 . . . . 0.0 110.99 -177.842 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 CA-C-O 116.729 -1.605 . . . . 0.0 110.687 -176.944 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.147 0 CA-C-N 119.576 1.08 . . . . 0.0 112.838 -178.878 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 124.926 1.29 . . . . 0.0 111.657 -178.449 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 125.008 1.443 . . . . 0.0 108.246 -179.513 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.296 -1.744 0 O-C-N 126.554 2.408 . . . . 0.0 111.624 -178.961 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.248 0.983 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.529 177.563 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 -177.781 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 125.677 1.591 . . . . 0.0 111.227 177.406 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 CA--C 1.503 -0.675 0 O-C-N 121.321 -0.862 . . . . 0.0 114.283 -179.409 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.51 -0.586 0 N-CA-C 113.253 0.835 . . . . 0.0 113.253 179.237 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 119.87 -1.769 . . . . 0.0 109.644 -179.324 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.893 0 N-CA-C 116.38 1.993 . . . . 0.0 116.38 -176.984 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 125.268 1.605 . . . . 0.0 110.331 -176.651 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 112.553 -2.112 . . . . 0.0 108.305 176.052 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 N-CA-C 104.518 -2.401 . . . . 0.0 104.518 178.464 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 125.386 1.679 . . . . 0.0 108.286 -177.687 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.304 -1.232 0 O-C-N 125.89 1.994 . . . . 0.0 110.965 -175.539 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.473 0 O-C-N 126.289 2.731 . . . . 0.0 115.074 -176.535 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.258 1.527 0 O-C-N 120.431 -1.418 . . . . 0.0 113.867 177.68 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.254 1.339 0 N-CA-C 115.625 1.713 . . . . 0.0 115.625 -176.996 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.263 1.815 0 CA-C-O 115.114 -2.374 . . . . 0.0 112.795 -178.688 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.259 1.602 0 CA-C-N 120.927 1.694 . . . . 0.0 114.882 -178.024 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.311 -1.066 0 C-N-CA 127.054 2.142 . . . . 0.0 111.179 -179.56 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 O-C-N 126.218 2.199 . . . . 0.0 110.451 -179.736 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 125.32 1.448 . . . . 0.0 107.095 177.895 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.716 0 C-N-CA 126.565 1.946 . . . . 0.0 112.603 179.023 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.179 0 CA-C-N 113.219 -1.809 . . . . 0.0 111.408 -177.723 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.14 0 C-N-CA 123.84 0.856 . . . . 0.0 113.188 -179.056 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 104.156 -2.535 . . . . 0.0 104.156 177.431 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 104.757 -2.312 . . . . 0.0 104.757 178.695 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 128.477 3.611 . . . . 0.0 116.93 -175.641 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.316 0 N-CA-C 105.329 -3.108 . . . . 0.0 105.329 177.064 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.366 0 O-C-N 128.542 3.142 . . . . 0.0 106.528 179.816 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.244 0.812 0 C-N-CA 118.91 -1.116 . . . . 0.0 112.668 -177.619 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.737 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 177.546 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.244 0.789 0 CA-C-O 122.505 1.145 . . . . 0.0 108.07 176.415 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.302 0 C-N-CA 121.488 1.459 . . . . 0.0 111.874 -179.745 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 177.029 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 105.404 -2.073 . . . . 0.0 105.404 177.467 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 122.808 1.29 . . . . 0.0 110.119 -176.896 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.179 0 CA-C-N 112.649 -2.069 . . . . 0.0 112.756 179.69 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.308 -1.219 0 CA-C-N 118.198 0.999 . . . . 0.0 110.686 -179.991 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.919 0 O-C-N 123.466 1.245 . . . . 0.0 111.647 176.897 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.553 1.058 0 N-CA-C 103.18 -2.896 . . . . 0.0 103.18 178.564 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.305 -1.351 0 O-C-N 126.925 2.64 . . . . 0.0 112.209 -178.714 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.438 -1.743 0 N-CA-C 107.595 -1.733 . . . . 0.0 107.595 -179.307 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.973 0 O-C-N 128.13 3.394 . . . . 0.0 102.997 -179.897 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.974 0 CA-C-O 115.973 -1.965 . . . . 0.0 108.837 179.36 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.543 1.815 0 N-CA-C 104.123 -3.591 . . . . 0.0 104.123 -179.613 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.257 1.469 0 CA-C-O 115.687 -2.101 . . . . 0.0 109.465 -177.891 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.732 0 N-CA-C 103.697 -2.705 . . . . 0.0 103.697 -177.995 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.497 -1.089 0 O-C-N 127.724 3.14 . . . . 0.0 113.53 -179.268 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 106.309 -1.737 . . . . 0.0 106.309 -177.156 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.501 2.971 0 O-C-N 126.317 2.261 . . . . 0.0 107.658 -179.522 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 118.686 -2.655 . . . . 0.0 110.271 -177.077 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--N 1.301 -1.502 1 O-C-N 114.903 -4.873 . . . . 0.0 100.648 -177.236 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.446 -1.291 0 CA-C-O 115.239 -2.067 . . . . 0.0 112.07 179.993 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.824 0 CA-C-N 120.709 1.595 . . . . 0.0 109.546 177.837 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.275 2.409 0 CA-C-N 112.85 -1.977 . . . . 0.0 110.625 178.288 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.311 0 O-C-N 120.917 -1.114 . . . . 0.0 110.433 178.528 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.148 0 O-C-N 125.79 1.931 . . . . 0.0 110.284 -178.371 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.288 -2.094 0 O-C-N 127.007 2.692 . . . . 0.0 107.043 178.923 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.483 -1.623 0 CA-C-O 122.233 1.016 . . . . 0.0 112.937 177.881 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.896 0 O-C-N 117.437 -3.289 . . . . 0.0 114.549 179.712 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.8 0 O-C-N 125.638 1.836 . . . . 0.0 108.123 179.502 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.569 1 O-C-N 129.24 4.088 . . . . 0.0 109.753 179.228 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 120.066 -1.646 . . . . 0.0 111.897 179.079 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.504 0 C-N-CA 125.104 1.362 . . . . 0.0 112.751 178.726 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.289 -2.055 0 C-N-CA 128.016 2.722 . . . . 0.0 114.251 -178.915 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.275 0 C-N-CA 128.273 2.629 . . . . 0.0 111.493 -179.051 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 C-N-CA 117.616 -1.634 . . . . 0.0 107.408 -179.885 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.1 0 CA-C-O 117.294 -1.336 . . . . 0.0 108.997 179.942 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 C--N 1.313 -1.314 0 C-N-CA 122.883 2.388 . . . . 0.0 111.749 178.65 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.249 1.027 0 O-C-N 118.586 -2.571 . . . . 0.0 115.721 179.975 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.061 0 C-N-CA 126.621 1.968 . . . . 0.0 110.9 177.991 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.505 -0.928 0 C-N-CA 123.426 2.751 . . . . 0.0 115.454 178.941 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-N 121.279 1.854 . . . . 0.0 113.466 178.013 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 125.018 1.327 . . . . 0.0 108.026 179.983 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.846 0 C-N-CA 119.088 -1.045 . . . . 0.0 109.729 179.135 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.582 -0.699 . . . . 0.0 109.266 179.146 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-N 114.218 -1.355 . . . . 0.0 109.765 179.848 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 119.556 1.071 . . . . 0.0 111.972 -177.99 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-O 117.114 -1.422 . . . . 0.0 111.864 -178.031 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 115.078 1.51 . . . . 0.0 115.078 -178.964 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.257 1.489 0 CA-C-N 114.57 -1.196 . . . . 0.0 109.166 179.722 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-O 124.896 2.284 . . . . 0.0 109.39 178.346 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.498 -1.032 0 CA-C-N 112.728 -2.033 . . . . 0.0 111.308 178.798 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.296 -1.731 0 CA-C-N 121.136 1.789 . . . . 0.0 112.744 179.851 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 CA-C-O 118.431 -0.795 . . . . 0.0 112.294 -176.311 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 O-C-N 124.133 0.896 . . . . 0.0 109.147 -179.362 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-O 115.22 -2.324 . . . . 0.0 110.899 -178.133 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.227 0 O-C-N 127.596 3.06 . . . . 0.0 111.038 179.001 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.294 -1.821 0 C-N-CA 127.424 2.289 . . . . 0.0 113.744 -177.149 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 125.984 2.052 . . . . 0.0 112.207 -179.9 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.393 0 CA-C-N 121.262 1.846 . . . . 0.0 114.818 179.869 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.598 0 C-N-CA 124.772 1.229 . . . . 0.0 111.408 179.577 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 178.907 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 178.243 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 O-C-N 124.817 1.323 . . . . 0.0 110.025 -178.656 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-N 113.665 -1.607 . . . . 0.0 111.059 178.336 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 127.159 2.184 . . . . 0.0 112.499 -178.503 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 113.654 -1.612 . . . . 0.0 111.98 179.761 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-O 116.757 -1.592 . . . . 0.0 111.653 -178.284 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 126.498 2.374 . . . . 0.0 107.522 178.938 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.042 0 C-N-CA 126.441 1.896 . . . . 0.0 113.16 179.212 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.113 -0.948 . . . . 0.0 109.597 -179.16 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.308 -1.211 0 O-C-N 124.486 1.116 . . . . 0.0 108.214 178.135 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-O 116.573 -1.679 . . . . 0.0 112.095 179.032 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.513 0 N-CA-C 115.89 1.811 . . . . 0.0 115.89 -179.687 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 O-C-N 124.463 1.102 . . . . 0.0 111.072 -177.908 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.136 0 O-C-N 125.425 1.703 . . . . 0.0 111.349 -178.619 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.071 0 C-N-CA 127.247 2.219 . . . . 0.0 107.48 179.118 . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' A' A ' 500' ' ' MXT . . . . . 1.04 H121 ' H ' ' A' ' 42' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 600' ' ' MXT . . . . . 0.829 H231 ' O11' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.906 0 N-CA-C 117.236 1.654 . . . . 0.0 117.236 . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -150.77 -178.27 6.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.613 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . . . -130.69 134.84 47.27 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 123.623 1.677 . . . . 0.0 107.921 178.813 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . . . -123.01 129.77 74.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.434 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . . . -123.62 142.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 111.568 -2.56 . . . . 0.0 110.181 -178.982 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . . . -119.48 126.63 51.77 Favored 'General case' 0 C--N 1.307 -1.249 0 O-C-N 126.889 2.618 . . . . 0.0 109.131 178.167 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -146.02 150.15 15.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -179.99 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . . . -65.73 147.17 53.82 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.686 0.755 . . . . 0.0 110.312 178.853 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.7 -21.2 49.97 Favored Glycine 0 C--O 1.255 1.413 0 C-N-CA 126.223 1.868 . . . . 0.0 116.384 178.461 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . . . -88.26 9.39 23.26 Favored 'General case' 0 C--N 1.287 -2.151 0 C-N-CA 128.465 2.706 . . . . 0.0 113.749 -179.632 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -115.36 168.82 9.64 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 126.526 1.93 . . . . 0.0 109.998 -178.817 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.88 66.05 3.64 Favored Glycine 0 C--N 1.311 -0.809 0 CA-C-N 114.054 -1.43 . . . . 0.0 112.098 -178.152 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . . . -73.3 -12.12 60.73 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 125.942 1.613 . . . . 0.0 114.048 178.603 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . . . -83.03 -35.83 25.46 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.556 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.27 -39.8 56.84 Favored Glycine 0 N--CA 1.488 2.116 0 N-CA-C 107.508 -2.237 . . . . 0.0 107.508 178.705 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -65.5 -39.26 91.67 Favored 'General case' 0 C--O 1.25 1.114 0 CA-C-O 116.986 -1.483 . . . . 0.0 108.95 178.335 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.49 67.92 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 116.888 -1.53 . . . . 0.0 110.389 176.665 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . . . -78.53 -29.44 46.45 Favored 'General case' 0 C--O 1.254 1.292 0 C-N-CA 127.61 2.364 . . . . 0.0 113.332 178.11 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -73.17 -32.98 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 177.082 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.64 -34.9 88.93 Favored Glycine 0 C--N 1.304 -1.248 0 CA-C-N 112.91 -1.95 . . . . 0.0 114.333 179.653 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -71.16 -39.15 72.1 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-O 122.626 1.203 . . . . 0.0 108.013 179.552 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -63.28 -40.44 97.39 Favored 'General case' 0 C--N 1.301 -1.5 0 C-N-CA 125.181 1.392 . . . . 0.0 109.14 175.931 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . . . -66.91 -45.64 77.33 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.806 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . . . -62.21 -19.11 62.81 Favored 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 124.411 1.084 . . . . 0.0 111.977 -178.998 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . . . -76.9 -48.6 17.77 Favored 'General case' 0 C--O 1.254 1.291 0 C-N-CA 124.494 1.118 . . . . 0.0 111.944 -179.557 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . . . -93.69 10.48 32.68 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 116.817 -1.563 . . . . 0.0 111.982 -179.236 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . . . -137.71 -37.85 0.6 Allowed 'General case' 0 C--O 1.26 1.652 0 O-C-N 125.138 1.524 . . . . 0.0 113.622 -176.489 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.61 -5.96 80.07 Favored Glycine 0 C--N 1.302 -1.312 0 C-N-CA 124.173 0.892 . . . . 0.0 111.066 -178.24 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -83.39 123.09 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 113.137 -1.532 . . . . 0.0 107.547 179.506 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . . . -80.23 134.75 36.14 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 128.098 3.374 . . . . 0.0 109.393 178.146 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . . . -107.15 141.55 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 177.855 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . . . -125.96 118.39 25.28 Favored 'General case' 0 C--N 1.294 -1.823 0 C-N-CA 126.111 1.764 . . . . 0.0 109.758 179.679 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -105.97 134.32 47.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 O-C-N 125.461 1.725 . . . . 0.0 107.139 179.687 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . . . -139.28 158.13 44.7 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 113.867 -1.515 . . . . 0.0 107.737 178.262 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . . . -139.23 69.54 40.69 Favored Pre-proline 0 C--N 1.31 -1.128 0 O-C-N 126.864 2.603 . . . . 0.0 109.48 -179.377 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . . . -67.4 155.41 70.49 Favored 'Trans proline' 0 CA--C 1.513 -0.575 0 C-N-CA 122.468 2.112 . . . . 0.0 111.365 -178.8 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.702 ' HA ' H121 ' A' ' 500' ' ' MXT . 16.9 p -64.18 134.77 55.47 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 115.812 -2.042 . . . . 0.0 110.96 178.281 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . . . 44.44 48.0 8.23 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 126.165 2.166 . . . . 0.0 109.258 179.24 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . . . -62.17 -25.26 67.67 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.506 1.754 . . . . 0.0 111.627 -176.665 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -75.67 -14.8 60.37 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.878 0.736 . . . . 0.0 110.127 -178.579 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -93.58 -40.75 10.12 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 177.632 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . . . -69.42 -35.72 76.0 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 116.609 -1.662 . . . . 0.0 112.211 179.454 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . . . -50.98 -61.14 4.31 Favored Pre-proline 0 C--N 1.312 -1.06 0 O-C-N 124.416 1.072 . . . . 0.0 111.578 -178.601 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . . . -51.96 -34.52 56.84 Favored 'Trans proline' 0 C--O 1.261 1.669 0 C-N-CA 121.114 1.209 . . . . 0.0 113.317 -177.051 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . . . -69.49 -56.45 7.34 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 126.914 2.086 . . . . 0.0 112.627 179.722 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . . . -71.22 -35.44 58.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 CA-C-O 116.265 -1.826 . . . . 0.0 112.239 -178.82 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.81 -36.8 78.67 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 120.649 1.568 . . . . 0.0 109.902 -178.626 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.21 -21.72 59.94 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 126.373 2.296 . . . . 0.0 110.882 178.86 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . . . -107.57 16.78 23.42 Favored 'General case' 0 N--CA 1.447 -0.575 0 O-C-N 120.677 -1.265 . . . . 0.0 113.313 179.011 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.88 33.88 87.0 Favored Glycine 0 C--O 1.248 0.982 0 C-N-CA 126.7 2.095 . . . . 0.0 113.178 -179.09 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . . . -118.77 -170.07 1.84 Allowed 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.596 -1.532 . . . . 0.0 107.057 177.929 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.29 -167.28 23.58 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 125.248 1.592 . . . . 0.0 112.261 179.247 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . . . -85.04 162.02 11.67 Favored 'Trans proline' 0 CA--C 1.504 -1.025 0 O-C-N 125.153 2.133 . . . . 0.0 109.786 -178.874 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . . . -69.6 -37.55 76.94 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-O 124.732 2.205 . . . . 0.0 109.869 176.508 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . . . -137.59 141.92 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 CA-C-N 110.029 -3.26 . . . . 0.0 112.52 -178.812 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . . . -126.74 139.17 52.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 113.722 -1.581 . . . . 0.0 110.359 -178.037 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . . . -112.61 128.79 56.47 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 115.324 -2.274 . . . . 0.0 106.971 178.456 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . . . -165.2 163.33 20.26 Favored 'General case' 0 C--N 1.267 -2.989 0 O-C-N 126.608 2.442 . . . . 0.0 107.906 176.358 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.12 144.81 33.29 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 174.832 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . . . -56.69 -33.98 66.96 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -177.542 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . . . -57.92 -34.88 70.32 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.508 0.67 . . . . 0.0 112.59 -174.332 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . . . -72.09 -23.47 61.34 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 115.235 -2.317 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -67.55 -26.57 66.37 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 126.704 2.503 . . . . 0.0 112.21 -176.368 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 332' ' ' ASN . . . -60.43 -47.8 89.34 Favored Glycine 0 CA--C 1.542 1.768 0 O-C-N 125.329 1.643 . . . . 0.0 111.395 178.926 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.05 -39.23 92.95 Favored Glycine 0 C--N 1.295 -1.74 0 C-N-CA 126.983 2.23 . . . . 0.0 111.184 178.963 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . . . -64.37 -47.58 78.73 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 121.181 -1.187 . . . . 0.0 110.68 177.256 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.51 -39.77 92.2 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 129.463 3.105 . . . . 0.0 110.576 179.117 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . . . -57.71 -48.1 80.53 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 114.297 -2.763 . . . . 0.0 106.61 -179.41 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . . . -80.74 7.8 9.5 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 127.086 2.742 . . . . 0.0 115.955 179.224 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.94 35.16 91.57 Favored Glycine 0 N--CA 1.437 -1.258 0 C-N-CA 128.885 3.135 . . . . 0.0 114.779 178.431 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . . . -84.92 -14.23 48.34 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -178.007 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . . . -113.91 138.0 50.91 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -178.702 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.45 145.78 39.02 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-O 123.944 1.831 . . . . 0.0 108.177 175.631 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -74.13 139.94 44.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 104.085 -2.561 . . . . 0.0 104.085 176.978 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . . . -110.22 151.86 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 CA-C-O 125.241 2.448 . . . . 0.0 109.133 -179.268 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . . . -138.9 68.57 42.81 Favored Pre-proline 0 C--O 1.246 0.913 0 CA-C-N 112.677 -2.056 . . . . 0.0 115.232 179.416 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . . . -68.1 147.75 73.91 Favored 'Trans proline' 0 C--O 1.256 1.408 0 N-CA-C 103.57 -3.281 . . . . 0.0 103.57 176.927 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . . . -84.34 167.71 16.29 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.892 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . . . -42.79 -46.54 5.24 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.33 -177.732 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.295 -1.783 0 C-N-CA 127.083 2.153 . . . . 0.0 112.771 -178.005 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . . . -72.04 -38.51 69.5 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 125.869 1.98 . . . . 0.0 106.434 179.341 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . . . -60.79 -34.59 74.73 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 124.092 0.87 . . . . 0.0 113.171 -176.929 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . . . -75.25 -9.6 58.7 Favored 'General case' 0 C--N 1.309 -1.183 0 O-C-N 124.637 1.211 . . . . 0.0 112.289 -178.546 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -77.97 -16.79 57.86 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 124.991 1.316 . . . . 0.0 112.591 178.055 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . . . -115.72 155.79 27.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 126.364 1.866 . . . . 0.0 111.219 -179.378 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . . . -61.1 129.42 90.56 Favored Pre-proline 0 N--CA 1.483 1.217 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 178.07 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . . . -50.3 -44.5 38.48 Favored 'Trans proline' 0 C--N 1.316 -1.164 0 O-C-N 125.701 2.422 . . . . 0.0 115.383 -177.521 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . . . -59.2 -26.06 64.51 Favored 'General case' 0 C--O 1.246 0.916 0 C-N-CA 125.025 1.33 . . . . 0.0 110.618 -178.906 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . . . -72.05 -28.05 63.09 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-O 116.561 -1.685 . . . . 0.0 111.629 -178.856 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . . . -69.92 -25.89 63.89 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 126.868 2.605 . . . . 0.0 110.239 179.018 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . . . -66.3 -25.04 66.66 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 125.207 1.403 . . . . 0.0 113.301 177.779 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.73 51.42 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 126.339 1.856 . . . . 0.0 114.61 -178.291 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . . . -112.17 24.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.108 -1.406 . . . . 0.0 113.667 -175.633 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . . . -103.18 127.72 50.39 Favored 'General case' 0 C--N 1.289 -2.038 0 C-N-CA 126.499 1.919 . . . . 0.0 106.833 176.889 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . . . -126.38 99.69 5.95 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 178.223 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . . . 55.11 52.95 10.87 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 127.521 3.013 . . . . 0.0 110.563 -178.91 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.74 -27.32 5.95 Favored Glycine 0 C--O 1.253 1.333 0 CA-C-O 116.853 -2.082 . . . . 0.0 115.805 179.187 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . . . -84.08 133.86 34.63 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 119.047 1.423 . . . . 0.0 111.766 -179.069 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . . . -77.64 119.55 21.35 Favored 'General case' 0 C--O 1.256 1.434 0 O-C-N 126.364 2.29 . . . . 0.0 105.602 176.093 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . . . -119.04 11.59 6.86 Favored 'Isoleucine or valine' 0 C--O 1.25 1.122 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 -178.476 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -174.94 162.98 3.22 Favored 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 119.799 -0.76 . . . . 0.0 110.716 178.154 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . . . -102.69 133.72 20.29 Favored Pre-proline 0 N--CA 1.505 2.299 0 O-C-N 125.664 1.852 . . . . 0.0 106.855 170.075 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . . . -72.14 136.54 27.16 Favored 'Trans proline' 0 N--CA 1.498 1.735 1 O-C-N 129.187 4.256 . . . . 0.0 107.974 -173.729 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . . . -114.66 -63.96 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.917 0 CA-C-N 121.003 1.729 . . . . 0.0 112.598 -179.323 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.38 161.66 27.34 Favored 'General case' 0 N--CA 1.502 2.168 0 CA-C-N 114.227 -1.351 . . . . 0.0 110.939 179.518 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . . . -126.46 138.82 53.5 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.2 0 C-N-CA 127.007 2.123 . . . . 0.0 110.236 -176.605 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . . . -135.8 138.34 42.49 Favored 'General case' 0 C--O 1.257 1.46 0 O-C-N 120.889 -1.132 . . . . 0.0 109.837 -172.397 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.9 154.82 28.51 Favored 'General case' 0 C--O 1.259 1.587 0 N-CA-C 105.887 -1.894 . . . . 0.0 105.887 -174.971 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . . . -69.28 157.42 37.01 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 127.166 2.791 . . . . 0.0 107.798 -177.971 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -141.96 165.78 26.51 Favored 'General case' 0 CA--C 1.572 1.789 0 CA-C-O 115.437 -2.221 . . . . 0.0 106.426 176.58 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . . . -85.59 121.02 27.68 Favored 'General case' 0 N--CA 1.51 2.556 1 O-C-N 130.654 4.971 . . . . 0.0 106.332 178.287 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . . . -106.98 130.86 58.3 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.154 0 CA-C-O 113.742 -3.027 . . . . 0.0 105.878 -179.831 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . . . -139.51 158.97 43.22 Favored 'General case' 0 N--CA 1.488 1.466 0 CA-C-N 121.156 1.798 . . . . 0.0 110.032 -177.812 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . . . -92.42 108.16 19.75 Favored 'General case' 0 C--N 1.295 -1.789 0 O-C-N 125.864 1.977 . . . . 0.0 105.792 -176.598 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . . . -63.68 -23.15 67.26 Favored 'General case' 0 C--O 1.255 1.348 0 O-C-N 127.519 3.012 . . . . 0.0 112.74 -176.34 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . . . -79.66 -25.0 41.45 Favored 'General case' 0 C--O 1.266 1.937 0 O-C-N 127.252 2.845 . . . . 0.0 112.258 177.639 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . . . -98.85 -28.31 13.52 Favored 'General case' 0 C--N 1.315 -0.931 0 O-C-N 119.068 -2.27 . . . . 0.0 111.896 -179.653 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . . . -132.95 112.5 13.48 Favored Pre-proline 0 C--N 1.332 -0.193 0 O-C-N 126.632 2.457 . . . . 0.0 109.72 -174.922 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . . . -59.43 -56.23 1.4 Allowed 'Trans proline' 0 C--N 1.324 -0.738 0 C-N-CA 124.699 3.599 . . . . 0.0 111.953 179.718 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . . . -129.01 132.07 24.13 Favored Pre-proline 0 N--CA 1.476 0.845 0 CA-C-N 111.685 -2.507 . . . . 0.0 106.709 179.193 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . . . -66.14 153.65 77.24 Favored 'Trans proline' 0 C--N 1.314 -1.262 0 O-C-N 127.522 3.38 . . . . 0.0 107.884 178.996 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . . . -69.83 145.17 55.94 Favored 'Trans proline' 0 C--N 1.328 -0.52 0 C-N-CA 121.828 1.685 . . . . 0.0 108.305 178.871 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -89.39 -18.83 26.07 Favored 'General case' 0 N--CA 1.427 -1.58 0 O-C-N 127.079 2.737 . . . . 0.0 112.186 179.889 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . . . -126.03 150.23 48.26 Favored 'General case' 0 C--N 1.29 -1.989 0 C-N-CA 126.75 2.02 . . . . 0.0 114.862 -174.391 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 129' ' ' TRP . . . . . . . . . . . . . . . -75.54 -33.35 60.67 Favored 'General case' 0 CA--C 1.569 1.7 0 N-CA-C 107.726 -1.212 . . . . 0.0 107.726 175.011 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . . . -60.49 -23.38 64.46 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 124.859 1.35 . . . . 0.0 113.647 -175.821 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . . . -95.53 1.99 54.12 Favored 'General case' 0 C--O 1.256 1.404 0 CA-C-O 117.412 -1.28 . . . . 0.0 112.807 -179.431 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . . . -68.57 -45.37 35.25 Favored Pre-proline 0 C--O 1.254 1.304 0 CA-C-N 121.729 2.058 . . . . 0.0 114.938 179.649 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . . . -50.61 -49.4 16.79 Favored 'Trans proline' 0 C--N 1.31 -1.485 0 C-N-CA 122.195 1.93 . . . . 0.0 113.272 178.099 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.292 -1.898 0 C-N-CA 129.772 3.229 . . . . 0.0 112.284 178.872 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . . . -66.82 -39.83 87.82 Favored 'General case' 0 C--N 1.312 -1.045 0 O-C-N 119.465 -2.022 . . . . 0.0 109.542 177.981 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . . . -64.27 -40.19 95.48 Favored 'General case' 0 CA--C 1.56 1.336 0 CA-C-O 115.519 -2.182 . . . . 0.0 109.221 179.725 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . . . -66.48 -36.64 83.24 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 127.412 2.945 . . . . 0.0 109.385 179.561 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . . . -69.02 -38.04 78.98 Favored 'General case' 0 C--O 1.252 1.233 0 O-C-N 120.281 -1.512 . . . . 0.0 112.885 177.183 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . . . -74.53 -30.81 61.92 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 122.022 0.915 . . . . 0.0 113.347 179.067 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . . . -65.86 -31.7 72.79 Favored 'General case' 0 C--N 1.307 -1.28 0 C-N-CA 126.458 1.903 . . . . 0.0 109.239 179.753 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.4 -24.37 55.04 Favored 'General case' 0 C--N 1.296 -1.741 0 O-C-N 125.066 1.478 . . . . 0.0 110.253 175.897 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . . . -111.93 8.32 20.29 Favored 'General case' 0 C--O 1.27 2.161 0 C-N-CA 127.077 2.151 . . . . 0.0 114.568 178.822 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.17 17.75 68.68 Favored Glycine 0 CA--C 1.546 2.027 0 CA-C-O 117.098 -1.946 . . . . 0.0 112.369 178.458 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . . . -117.42 157.58 25.96 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-N 118.121 0.96 . . . . 0.0 108.486 179.336 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . . . -112.31 159.09 18.99 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 176.032 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -72.43 -54.93 7.95 Favored 'General case' 0 C--O 1.247 0.943 0 C-N-CA 123.934 0.894 . . . . 0.0 112.846 -179.485 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . . . -144.17 144.13 31.41 Favored 'General case' 0 C--O 1.257 1.468 0 N-CA-C 115.019 1.489 . . . . 0.0 115.019 -175.544 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . . . -142.39 126.14 17.02 Favored 'General case' 0 C--N 1.31 -1.111 0 C-N-CA 124.98 1.312 . . . . 0.0 108.066 175.073 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . . . -147.7 168.15 22.82 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 177.256 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . . . -65.5 111.12 2.95 Favored 'General case' 0 C--O 1.21 -0.981 0 CA-C-N 114.276 -1.329 . . . . 0.0 110.02 -179.862 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . . . -92.62 -11.35 34.47 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-O 115.982 -1.961 . . . . 0.0 112.306 178.777 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . . . . . . . . . . . -75.2 -37.32 61.22 Favored 'General case' 0 C--N 1.277 -2.548 0 C-N-CA 126.858 2.063 . . . . 0.0 116.547 -174.855 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . . . -107.47 132.18 21.16 Favored Pre-proline 0 CA--C 1.484 -1.577 0 CA-C-O 122.741 1.257 . . . . 0.0 112.276 -178.925 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . . . -59.39 -24.99 76.93 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 122.399 2.066 . . . . 0.0 115.129 -179.57 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . . . -54.23 -42.61 70.03 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 177.613 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . . . -77.33 -34.16 55.34 Favored 'General case' 0 C--O 1.257 1.452 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 178.314 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . . . -89.28 -19.02 25.86 Favored 'General case' 0 CA--C 1.498 -1.057 0 O-C-N 118.3 -2.75 . . . . 0.0 114.607 -179.032 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . . . -50.8 -43.11 81.87 Favored Pre-proline 0 C--O 1.254 1.33 0 N-CA-C 115.984 1.846 . . . . 0.0 115.984 179.694 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . . . -47.55 -42.99 28.61 Favored 'Trans proline' 0 CA--C 1.503 -1.026 0 CA-C-N 120.284 1.137 . . . . 0.0 114.867 -179.645 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . . . -75.76 -46.64 29.74 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.253 1.021 . . . . 0.0 112.011 179.862 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . . . -58.92 -44.13 90.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 O-C-N 125.038 1.461 . . . . 0.0 111.456 -179.744 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.83 -29.85 58.78 Favored 'General case' 0 C--O 1.254 1.29 0 N-CA-C 116.913 2.19 . . . . 0.0 116.913 179.151 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -33.26 -59.78 0.36 Allowed 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 127.637 2.375 . . . . 0.0 115.558 -178.074 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . . . -88.34 25.59 1.62 Allowed 'General case' 0 C--O 1.245 0.838 0 N-CA-C 117.109 2.263 . . . . 0.0 117.109 -178.544 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 131.7 -8.85 5.53 Favored Glycine 0 CA--C 1.481 -2.07 0 CA-C-O 115.65 -2.75 . . . . 0.0 118.893 177.678 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -76.04 155.03 45.57 Favored Glycine 0 C--N 1.29 -1.98 0 CA-C-N 124.155 3.977 . . . . 0.0 111.398 179.701 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . . . . . . . . . . . -161.01 156.27 24.45 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-O 115.65 -2.119 . . . . 0.0 106.305 177.558 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -75.83 -64.48 1.08 Allowed 'General case' 0 C--N 1.302 -1.474 0 O-C-N 125.45 1.719 . . . . 0.0 107.618 -178.975 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . . . -136.73 131.36 33.37 Favored 'General case' 0 C--O 1.257 1.46 0 O-C-N 125.828 1.955 . . . . 0.0 111.46 -179.626 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -60.34 126.66 28.33 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-O 122.173 0.987 . . . . 0.0 110.666 179.482 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . . . -117.24 134.74 54.44 Favored 'General case' 0 C--O 1.249 1.05 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 -179.892 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . . . -156.31 25.88 0.35 Allowed 'General case' 0 C--O 1.267 1.981 0 O-C-N 125.997 2.061 . . . . 0.0 116.216 -179.799 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . . . 172.44 37.17 0.0 OUTLIER 'General case' 0 C--O 1.263 1.774 0 CA-C-O 117.99 -1.005 . . . . 0.0 112.623 -178.226 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 76.2 4.06 77.74 Favored Glycine 0 N--CA 1.485 1.96 0 N-CA-C 107.798 -2.121 . . . . 0.0 107.798 -178.417 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . . . -135.79 139.01 43.19 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 125.341 2.496 . . . . 0.0 112.65 -177.779 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . . . -98.1 128.0 44.36 Favored 'General case' 0 C--O 1.246 0.871 0 CA-C-N 110.91 -2.859 . . . . 0.0 110.402 179.236 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . . . -88.9 101.63 14.25 Favored 'General case' 0 C--N 1.314 -0.956 0 O-C-N 126.319 2.262 . . . . 0.0 105.43 176.641 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . . . -71.48 0.49 1.44 Allowed 'Isoleucine or valine' 0 C--O 1.255 1.391 0 N-CA-C 117.777 2.51 . . . . 0.0 117.777 -176.501 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . . . -110.96 6.92 21.43 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 178.823 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . . . -118.35 90.44 3.33 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 103.856 -2.646 . . . . 0.0 103.856 177.048 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . . . -110.86 138.9 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 CA-C-N 112.03 -2.35 . . . . 0.0 107.959 -179.241 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 182' ' ' GLY . . . . . . . . . . . . . . . -117.87 41.69 2.0 Favored Glycine 0 C--O 1.252 1.258 0 N-CA-C 118.519 2.168 . . . . 0.0 118.519 -178.244 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . . . -96.98 -12.91 8.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.696 0 O-C-N 121.482 -1.011 . . . . 0.0 112.252 -179.671 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . . . -110.91 5.65 20.62 Favored 'General case' 0 C--O 1.261 1.692 0 N-CA-C 112.624 0.601 . . . . 0.0 112.624 -177.193 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 185' ' ' ASN . . . . . . . . . . . . . . . -75.54 174.66 9.39 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 124.235 1.969 . . . . 0.0 110.067 -179.802 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -61.05 -36.8 80.53 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-N 113.439 -1.71 . . . . 0.0 108.401 -178.426 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -53.31 -62.2 6.23 Favored Glycine 0 N--CA 1.463 0.499 0 CA-C-N 113.991 -1.459 . . . . 0.0 110.209 179.268 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.03 84.38 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 124.809 0.946 . . . . 0.0 109.996 179.936 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -61.58 -46.93 87.77 Favored 'General case' 0 C--O 1.248 0.984 0 CA-C-N 114.382 -1.281 . . . . 0.0 109.342 179.317 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.26 79.07 Favored 'General case' 0 N--CA 1.483 1.201 0 O-C-N 124.51 1.131 . . . . 0.0 110.179 178.888 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -59.21 -49.63 76.44 Favored Glycine 0 CA--C 1.501 -0.803 0 N-CA-C 119.068 2.387 . . . . 0.0 119.068 -179.664 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . . . -66.69 -37.2 84.25 Favored 'General case' 0 C--O 1.213 -0.835 0 O-C-N 120.858 -1.378 . . . . 0.0 109.059 179.529 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . . . -61.68 -49.14 77.69 Favored 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 107.062 -1.458 . . . . 0.0 107.062 178.608 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . . . -56.25 -41.83 76.38 Favored 'General case' 0 C--O 1.265 1.898 0 O-C-N 125.695 1.872 . . . . 0.0 110.272 179.136 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . . . -63.24 -45.66 90.52 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.326 0.584 . . . . 0.0 111.914 -179.172 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . . . -61.68 -43.91 97.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 115.746 -2.073 . . . . 0.0 108.776 -177.901 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . . . -59.52 -29.17 67.69 Favored 'General case' 0 C--N 1.293 -1.867 0 O-C-N 127.254 2.846 . . . . 0.0 110.398 178.714 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . . . . . . . . . . . -68.22 -45.33 73.58 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 117.639 -1.172 . . . . 0.0 109.597 -179.717 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . . . -70.36 -42.39 78.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 O-C-N 128.153 3.408 . . . . 0.0 112.814 -177.743 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 200' ' ' LYS . . . . . . . . . . . . . . . -73.77 -27.27 61.06 Favored 'General case' 0 C--O 1.254 1.302 0 O-C-N 125.122 1.514 . . . . 0.0 111.73 -178.038 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . . . -89.15 10.71 20.92 Favored 'General case' 0 C--N 1.318 -0.761 0 C-N-CA 123.858 0.863 . . . . 0.0 110.241 178.224 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . 58.97 22.01 9.91 Favored 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 118.021 2.6 . . . . 0.0 118.021 175.641 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 203' ' ' HIS . . . . . . . . . . . . . . . -79.47 -12.39 59.88 Favored 'General case' 0 C--N 1.312 -1.024 0 C-N-CA 124.107 0.963 . . . . 0.0 109.131 177.487 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 204' ' ' MET . . . . . . . . . . . . . . . -154.61 144.1 21.39 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 127.446 2.966 . . . . 0.0 111.372 -177.916 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 205' ' ' ASN . . . . . . . . . . . . . . . -96.53 133.85 40.46 Favored 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 129.98 3.312 . . . . 0.0 109.014 178.279 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 206' ' ' ALA . . . . . . . . . . . . . . . -67.34 -14.05 62.56 Favored 'General case' 0 C--O 1.247 0.962 0 O-C-N 126.754 2.534 . . . . 0.0 113.758 -178.112 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 207' ' ' ASP . . . . . . . . . . . . . . . -100.75 13.04 36.2 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 115.256 1.576 . . . . 0.0 115.256 -178.395 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 208' ' ' THR . . . . . . . . . . . . . . . -69.52 121.73 17.62 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 124.727 1.267 . . . . 0.0 109.988 178.502 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 209' ' ' ASP . . . . . . . . . . . . . . . -113.44 -168.43 1.33 Allowed 'General case' 0 C--N 1.304 -1.404 0 C-N-CA 123.992 0.917 . . . . 0.0 109.182 178.997 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 210' ' ' TYR . . . . . . . . . . . . . . . -61.96 -49.92 74.18 Favored 'General case' 0 C--N 1.316 -0.885 0 C-N-CA 123.445 0.698 . . . . 0.0 112.679 -178.415 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 211' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.25 -48.38 78.43 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-O 117.015 -1.469 . . . . 0.0 110.97 -177.803 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . . . -62.13 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.641 0 CA-C-O 116.729 -1.605 . . . . 0.0 110.701 -176.944 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 213' ' ' ALA . . . . . . . . . . . . . . . -63.32 -36.84 85.03 Favored 'General case' 0 C--O 1.251 1.138 0 CA-C-N 119.562 1.074 . . . . 0.0 112.821 -178.854 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . . . -65.91 -45.99 79.89 Favored 'General case' 0 N--CA 1.431 -1.406 0 C-N-CA 124.929 1.292 . . . . 0.0 111.656 -178.472 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 215' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.39 87.32 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 125.039 1.462 . . . . 0.0 108.302 -179.533 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.13 83.68 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 126.554 2.409 . . . . 0.0 111.635 -178.966 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 217' ' ' PHE . . . . . . . . . . . . . . . -65.63 -43.65 88.85 Favored 'General case' 0 C--O 1.249 1.037 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.513 177.556 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 218' ' ' ASN . . . . . . . . . . . . . . . -68.88 -19.84 64.24 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -177.741 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 219' ' ' LYS . . . . . . . . . . . . . . . -96.49 3.59 52.63 Favored 'General case' 0 C--N 1.301 -1.543 0 C-N-CA 125.637 1.575 . . . . 0.0 111.216 177.425 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . . . . . . . . . . . 65.44 19.43 66.66 Favored Glycine 0 N--CA 1.466 0.654 0 O-C-N 121.324 -0.86 . . . . 0.0 114.248 -179.457 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . . . -79.48 -28.14 41.53 Favored 'General case' 0 CA--C 1.508 -0.64 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 179.238 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . . . -122.98 147.13 46.98 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 119.786 -1.821 . . . . 0.0 109.606 -179.318 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.67 56.37 Favored 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 116.356 1.984 . . . . 0.0 116.356 -176.967 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 224' ' ' MET . . . . . . . . . . . . . . . -138.87 164.0 30.8 Favored 'General case' 0 C--N 1.306 -1.295 0 O-C-N 125.214 1.571 . . . . 0.0 110.316 -176.662 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . . . -153.47 163.48 39.87 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 112.53 -2.123 . . . . 0.0 108.285 176.092 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 226' ' ' ILE . . . . . . . . . . . . . . . -121.61 115.67 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 N-CA-C 104.555 -2.387 . . . . 0.0 104.555 178.428 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 227' ' ' ASN . . . . . . . . . . . . . . . -157.25 175.83 13.51 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 125.444 1.715 . . . . 0.0 108.276 -177.646 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -112.11 179.45 19.52 Favored Glycine 0 C--N 1.303 -1.289 0 O-C-N 125.866 1.979 . . . . 0.0 110.992 -175.568 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 229' ' ' PRO . . . . . . . . . . . . . . . -58.54 -26.72 79.74 Favored 'Trans proline' 0 CA--C 1.475 -2.442 0 O-C-N 126.283 2.728 . . . . 0.0 115.023 -176.5 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . . . -64.33 -18.55 64.73 Favored 'General case' 0 C--O 1.259 1.568 0 O-C-N 120.411 -1.431 . . . . 0.0 113.827 177.687 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 231' ' ' ALA . . . . . . . . . . . . . . . -88.11 -17.94 29.92 Favored 'General case' 0 C--O 1.256 1.409 0 N-CA-C 115.555 1.687 . . . . 0.0 115.555 -176.951 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 232' ' ' TRP . . . . . . . . . . . . . . . -52.32 -50.85 61.43 Favored 'General case' 0 C--O 1.263 1.803 0 CA-C-O 115.09 -2.386 . . . . 0.0 112.781 -178.712 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 233' ' ' SER . . . . . . . . . . . . . . . -54.38 -29.61 49.15 Favored 'General case' 0 C--O 1.26 1.607 0 CA-C-N 120.895 1.68 . . . . 0.0 114.861 -178.009 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . . . -75.8 -36.06 59.86 Favored 'General case' 0 C--N 1.312 -1.045 0 C-N-CA 127.012 2.125 . . . . 0.0 111.207 -179.56 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 235' ' ' ILE . . . . . . . . . . . . . . . -72.49 -42.27 64.08 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 O-C-N 126.229 2.206 . . . . 0.0 110.463 -179.752 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 236' ' ' ASP . . . . . . . . . . . . . . . -50.14 -56.32 11.44 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 125.348 1.459 . . . . 0.0 107.066 177.874 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 237' ' ' THR . . . . . . . . . . . . . . . -51.0 -44.21 60.9 Favored 'General case' 0 C--O 1.262 1.725 0 C-N-CA 126.587 1.955 . . . . 0.0 112.585 178.996 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 238' ' ' SER . . . . . . . . . . . . . . . -58.92 -32.65 69.75 Favored 'General case' 0 C--O 1.251 1.183 0 CA-C-N 113.209 -1.814 . . . . 0.0 111.39 -177.688 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 239' ' ' LYS . . . . . . . . . . . . . . . 80.28 20.47 0.53 Allowed 'General case' 0 C--N 1.31 -1.145 0 C-N-CA 123.879 0.872 . . . . 0.0 113.164 -179.069 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 240' ' ' VAL . . . . . . . . . . . . . . . -80.6 141.97 14.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 104.162 -2.532 . . . . 0.0 104.162 177.474 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 241' ' ' ASN . . . . . . . . . . . . . . . -93.01 89.99 6.75 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 104.824 -2.287 . . . . 0.0 104.824 178.66 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . . . -105.17 160.69 14.88 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 128.476 3.61 . . . . 0.0 116.997 -175.618 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 243' ' ' GLY . . . . . . . . . . . . . . . -134.85 154.17 21.41 Favored Glycine 1 CA--C 1.583 4.321 0 N-CA-C 105.322 -3.111 . . . . 0.0 105.322 177.083 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 244' ' ' VAL . . . . . . . . . . . . . . . -120.09 127.46 75.9 Favored 'Isoleucine or valine' 0 C--O 1.274 2.354 0 O-C-N 128.499 3.117 . . . . 0.0 106.538 179.782 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 245' ' ' THR . . . . . . . . . . . . . . . -146.57 -178.44 6.17 Favored 'General case' 0 C--O 1.245 0.848 0 C-N-CA 118.97 -1.092 . . . . 0.0 112.681 -177.61 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 246' ' ' VAL . . . . . . . . . . . . . . . -64.05 139.94 20.5 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.77 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 177.539 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 247' ' ' LEU . . . . . . . . . . . . . . . -63.15 157.51 62.05 Favored Pre-proline 0 C--O 1.245 0.837 0 CA-C-O 122.456 1.122 . . . . 0.0 108.078 176.474 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 248' ' ' PRO . . . . . . . . . . . . . . . -70.51 156.89 60.46 Favored 'Trans proline' 0 N--CA 1.446 -1.299 0 C-N-CA 121.459 1.439 . . . . 0.0 111.864 -179.694 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 249' ' ' THR . . . . . . . . . . . . . . . -87.38 160.32 18.39 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 177.043 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 250' ' ' PHE . . . . . . . . . . . . . . . -138.05 123.92 20.03 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 105.362 -2.088 . . . . 0.0 105.362 177.52 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 251' ' ' LYS . . . . . . . . . . . . . . . 56.37 32.51 20.68 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 122.769 1.271 . . . . 0.0 110.109 -176.901 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . 75.92 6.28 81.86 Favored Glycine 0 C--O 1.251 1.192 0 CA-C-N 112.631 -2.077 . . . . 0.0 112.773 179.493 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 253' ' ' GLN . . . . . . . . . . . . . . . -103.8 143.66 27.09 Favored Pre-proline 0 C--N 1.307 -1.241 0 CA-C-N 118.16 0.98 . . . . 0.0 110.702 179.71 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 254' ' ' PRO . . . . . . . . . . . . . . . -62.99 147.42 94.57 Favored 'Trans proline' 0 N--CA 1.452 -0.95 0 O-C-N 123.501 1.264 . . . . 0.0 111.657 177.368 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 255' ' ' SER . . . . . . . . . . . . . . . -66.78 148.73 51.54 Favored 'General case' 0 CA--C 1.552 1.021 0 N-CA-C 103.178 -2.897 . . . . 0.0 103.178 178.531 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . . . -123.47 83.34 52.96 Favored Pre-proline 0 C--N 1.306 -1.318 0 O-C-N 126.864 2.602 . . . . 0.0 112.279 -178.599 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 257' ' ' PRO . . . . . . . . . . . . . . . -75.58 153.14 38.87 Favored 'Trans proline' 0 N--CA 1.439 -1.702 0 N-CA-C 107.552 -1.749 . . . . 0.0 107.552 179.663 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 258' ' ' PHE . . . . . . . . . . . . . . . -73.3 144.84 46.43 Favored 'General case' 0 C--N 1.291 -1.944 0 O-C-N 128.143 3.402 . . . . 0.0 102.976 179.534 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 259' ' ' VAL . . . . . . . . . . . . . . . -108.78 128.58 64.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.988 0 CA-C-O 116.008 -1.948 . . . . 0.0 108.827 179.87 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 260' ' ' GLY . . . . . . . . . . . . . . . -107.97 139.5 15.09 Favored Glycine 0 CA--C 1.544 1.853 0 N-CA-C 104.094 -3.602 . . . . 0.0 104.094 -179.989 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 261' ' ' VAL . . . . . . . . . . . . . . . -125.37 116.39 46.54 Favored 'Isoleucine or valine' 0 C--O 1.258 1.535 0 CA-C-O 115.654 -2.117 . . . . 0.0 109.509 -179.406 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . . . -65.47 121.09 14.08 Favored 'General case' 0 CA--C 1.57 1.742 0 N-CA-C 103.68 -2.711 . . . . 0.0 103.68 -176.87 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 263' ' ' SER . . . . . . . . . . . . . . . -125.76 155.37 41.12 Favored 'General case' 0 CA--C 1.498 -1.038 0 O-C-N 127.773 3.171 . . . . 0.0 113.53 -176.953 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 264' ' ' ALA . . . . . . . . . . . . . . . -122.01 121.41 36.97 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 106.314 -1.736 . . . . 0.0 106.314 -177.727 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 265' ' ' GLY . . . . . . . . . . . . . . . -121.24 153.66 16.62 Favored Glycine 0 N--CA 1.5 2.958 0 O-C-N 126.298 2.249 . . . . 0.0 107.627 -178.889 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 266' ' ' ILE . . . . . . . . . . . . . . . -103.61 130.32 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 120.457 -1.614 . . . . 0.0 110.271 -179.237 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 267' ' ' ASN . . . . . . . . . . . . . . . -60.26 124.09 19.21 Favored 'General case' 0 C--N 1.263 -3.154 0 O-C-N 124.989 1.431 . . . . 0.0 107.712 178.804 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 268' ' ' ALA . . . . . . . . . . . . . . . -58.37 -27.95 64.7 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 117.902 -1.046 . . . . 0.0 109.047 178.825 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 269' ' ' ALA . . . . . . . . . . . . . . . -82.56 -6.79 59.54 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 125.885 1.674 . . . . 0.0 114.067 179.384 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 270' ' ' SER . . . . . . . . . . . . . . . -73.76 138.86 76.86 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 118.177 -1.409 . . . . 0.0 114.043 -179.488 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 271' ' ' PRO . . . . . . . . . . . . . . . -82.31 -4.62 11.78 Favored 'Trans proline' 0 C--N 1.313 -1.29 0 C-N-CA 122.516 2.144 . . . . 0.0 112.719 174.502 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 272' ' ' ASN . . . . . . . . . . . . . . . -112.14 37.48 2.98 Favored 'General case' 0 C--O 1.252 1.195 0 CA-C-O 115.178 -2.344 . . . . 0.0 115.95 -176.237 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 273' ' ' LYS . . . . . . . . . . . . . . . -64.22 -33.3 75.49 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 122.385 2.357 . . . . 0.0 116.664 -177.35 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 274' ' ' GLU . . . . . . . . . . . . . . . -71.59 -40.43 69.89 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.635 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 275' ' ' LEU . . . . . . . . . . . . . . . -62.5 -44.4 96.48 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 124.288 0.993 . . . . 0.0 109.878 176.865 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 276' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.92 83.46 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-O 123.987 1.851 . . . . 0.0 113.366 179.632 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . . . -65.88 -31.71 72.8 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 119.274 -2.141 . . . . 0.0 111.603 -179.786 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 278' ' ' GLU . . . . . . . . . . . . . . . -75.69 -43.81 45.37 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.209 179.527 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 279' ' ' PHE . . . . . . . . . . . . . . . -58.11 -55.44 34.96 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 125.202 1.564 . . . . 0.0 108.106 176.492 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 280' ' ' LEU . . . . . . . . . . . . . . . -59.87 -54.46 45.89 Favored 'General case' 0 N--CA 1.437 -1.112 0 O-C-N 120.918 -1.114 . . . . 0.0 113.926 -179.904 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 281' ' ' GLU . . . . . . . . . . . . . . . -73.9 -31.38 63.07 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 116.616 2.08 . . . . 0.0 116.616 -175.268 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 282' ' ' ASN . . . . . . . . . . . . . . . -112.5 -4.4 14.21 Favored 'General case' 0 CA--C 1.479 -1.75 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 -174.283 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 283' ' ' TYR . . . . . . . . . . . . . . . -118.95 -54.14 2.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 120.03 1.286 . . . . 0.0 109.72 179.499 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 284' ' ' LEU . . . . . . . . . . . . . . . -74.37 -54.21 8.07 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 126.815 2.572 . . . . 0.0 114.222 -178.428 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 285' ' ' LEU . . . . . . . . . . . . . . . -81.96 57.22 3.4 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 121.323 1.874 . . . . 0.0 113.525 -178.141 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 286' ' ' THR . . . . . . . . . . . . . . . -136.57 160.98 37.17 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 128.615 3.697 . . . . 0.0 107.109 177.503 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 287' ' ' ASP . . . . . . . . . . . . . . . -54.83 -40.11 69.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.654 1.221 . . . . 0.0 110.708 178.213 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 288' ' ' GLU . . . . . . . . . . . . . . . -73.87 -32.22 63.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.113 -0.992 . . . . 0.0 113.535 -177.93 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . -71.91 -49.57 22.15 Favored Glycine 0 CA--C 1.55 2.251 0 N-CA-C 109.126 -1.59 . . . . 0.0 109.126 -179.865 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 290' ' ' LEU . . . . . . . . . . . . . . . -62.78 -36.44 83.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 124.775 0.926 . . . . 0.0 108.79 -178.503 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 291' ' ' GLU . . . . . . . . . . . . . . . -64.06 -46.21 85.35 Favored 'General case' 0 C--O 1.254 1.309 0 CA-C-N 114.957 -1.019 . . . . 0.0 113.261 179.907 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.72 87.99 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-N 119.534 1.061 . . . . 0.0 110.21 178.154 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 293' ' ' VAL . . . . . . . . . . . . . . . -70.21 -51.02 42.51 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 294' ' ' ASN . . . . . . . . . . . . . . . -53.51 -41.11 65.97 Favored 'General case' 0 C--N 1.293 -1.87 0 O-C-N 127.364 2.915 . . . . 0.0 111.139 179.305 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 295' ' ' LYS . . . . . . . . . . . . . . . -58.68 -34.56 71.4 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 125.261 1.424 . . . . 0.0 111.911 177.741 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 296' ' ' ASP . . . . . . . . . . . . . . . -76.12 -50.17 15.38 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 123.956 0.903 . . . . 0.0 109.928 179.194 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 297' ' ' LYS . . . . . . . . . . . . . . . -153.86 126.76 4.09 Favored Pre-proline 0 C--N 1.311 -1.069 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 179.89 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 298' ' ' PRO . . . . . . . . . . . . . . . -57.81 140.76 94.77 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 121.837 1.691 . . . . 0.0 112.868 -178.686 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 299' ' ' LEU . . . . . . . . . . . . . . . -91.61 -19.24 22.92 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 125.045 1.466 . . . . 0.0 114.295 178.793 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . 87.92 -141.0 16.78 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 104.043 -3.623 . . . . 0.0 104.043 -176.173 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 301' ' ' ALA . . . . . . . . . . . . . . . -75.81 148.04 38.72 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 179.777 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 302' ' ' VAL . . . . . . . . . . . . . . . -119.33 159.74 19.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 O-C-N 125.921 2.013 . . . . 0.0 109.394 -178.223 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 303' ' ' ALA . . . . . . . . . . . . . . . -79.11 -25.59 42.97 Favored 'General case' 0 C--N 1.362 1.128 0 O-C-N 124.942 1.401 . . . . 0.0 114.08 -178.712 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 304' ' ' LEU . . . . . . . . . . . . . . . -71.87 110.15 6.2 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 114.142 -2.837 . . . . 0.0 109.671 179.686 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 305' ' ' LYS . . . . . . . . . . . . . . . -48.34 -43.93 33.81 Favored 'General case' 0 C--N 1.275 -2.635 0 C-N-CA 127.02 2.128 . . . . 0.0 115.731 -178.086 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 306' ' ' SER . . . . . . . . . . . . . . . -63.23 -46.14 88.3 Favored 'General case' 0 C--O 1.259 1.561 0 C-N-CA 124.589 1.156 . . . . 0.0 113.17 -177.113 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 307' ' ' TYR . . . . . . . . . . . . . . . -78.76 -30.93 45.96 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.573 -0.704 . . . . 0.0 109.825 -178.801 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 308' ' ' GLU . . . . . . . . . . . . . . . -62.59 -39.28 93.21 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 124.916 1.385 . . . . 0.0 107.824 -179.129 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 309' ' ' GLU . . . . . . . . . . . . . . . -60.93 -29.65 69.74 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.785 179.525 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 310' ' ' GLU . . . . . . . . . . . . . . . -76.92 -44.56 31.14 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-O 125.035 2.35 . . . . 0.0 109.39 177.618 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 311' ' ' LEU . . . . . . . . . . . . . . . -64.8 -34.42 78.31 Favored 'General case' 0 C--O 1.243 0.738 0 CA-C-N 114.039 -1.437 . . . . 0.0 114.192 -178.356 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 312' ' ' ALA . . . . . . . . . . . . . . . -63.26 -2.04 1.28 Allowed 'General case' 0 C--N 1.294 -1.837 0 C-N-CA 126.305 1.842 . . . . 0.0 113.801 -178.484 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 313' ' ' LYS . . . . . . . . . . . . . . . -73.28 -13.69 61.17 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 125.051 2.358 . . . . 0.0 109.036 174.807 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 314' ' ' ASP . . . . . . . . . . . . . . . -94.24 113.49 60.92 Favored Pre-proline 0 C--O 1.253 1.282 0 N-CA-C 100.648 -3.834 . . . . 0.0 100.648 177.137 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . . . -63.69 -21.05 69.91 Favored 'Trans proline' 0 N--CA 1.445 -1.34 0 CA-C-O 115.215 -2.077 . . . . 0.0 112.108 -178.943 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . . . -69.39 -38.42 77.98 Favored 'General case' 0 C--N 1.271 -2.807 0 CA-C-N 120.712 1.596 . . . . 0.0 109.53 177.813 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . . . -73.04 -39.26 57.24 Favored 'Isoleucine or valine' 0 C--O 1.274 2.393 0 CA-C-N 112.851 -1.977 . . . . 0.0 110.623 178.309 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.76 96.39 Favored 'General case' 0 N--CA 1.433 -1.284 0 O-C-N 120.933 -1.104 . . . . 0.0 110.401 178.574 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -42.79 84.46 Favored 'General case' 0 CA--C 1.555 1.168 0 O-C-N 125.799 1.937 . . . . 0.0 110.289 -178.393 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 320' ' ' THR . . . . . . . . . . . . . . . -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.289 -2.051 0 O-C-N 127.081 2.738 . . . . 0.0 107.0 179.012 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 321' ' ' MET . . . . . . . . . . . . . . . -57.76 -43.5 85.52 Favored 'General case' 0 CA--C 1.484 -1.595 0 CA-C-O 122.208 1.004 . . . . 0.0 112.895 177.928 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . . . -59.82 -43.11 94.71 Favored 'General case' 0 N--CA 1.441 -0.919 0 O-C-N 117.468 -3.27 . . . . 0.0 114.6 179.729 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 323' ' ' ASN . . . . . . . . . . . . . . . -66.95 -43.64 82.63 Favored 'General case' 0 CA--C 1.572 1.82 0 O-C-N 125.639 1.837 . . . . 0.0 108.144 179.484 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.4 93.4 Favored 'General case' 0 C--N 1.3 -1.58 1 O-C-N 129.31 4.131 . . . . 0.0 109.764 179.173 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 325' ' ' GLN . . . . . . . . . . . . . . . -68.61 -24.67 64.6 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 120.097 -1.627 . . . . 0.0 111.846 179.105 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 326' ' ' LYS . . . . . . . . . . . . . . . -95.92 -12.52 24.98 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 125.07 1.348 . . . . 0.0 112.802 178.701 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.11 -172.74 44.87 Favored Glycine 0 C--N 1.29 -2.008 0 C-N-CA 127.995 2.712 . . . . 0.0 114.349 179.946 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 328' ' ' GLU . . . . . . . . . . . . . . . -111.96 115.13 28.45 Favored 'General case' 0 C--O 1.272 2.284 0 C-N-CA 128.259 2.624 . . . . 0.0 111.522 179.136 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 329' ' ' ILE . . . . . . . . . . . . . . . -58.15 132.94 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 C-N-CA 117.592 -1.643 . . . . 0.0 107.437 177.414 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 330' ' ' MET . . . . . . . . . . . . . . . -68.71 122.27 84.22 Favored Pre-proline 0 C--N 1.288 -2.088 0 CA-C-O 117.332 -1.318 . . . . 0.0 108.951 -179.11 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . . . -53.73 135.03 61.21 Favored 'Trans proline' 0 N--CA 1.49 1.289 0 C-N-CA 122.867 2.378 . . . . 0.0 111.727 177.605 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 332' ' ' ASN . . . . . 0.478 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -94.39 4.98 53.15 Favored 'General case' 0 C--O 1.249 1.028 0 O-C-N 118.692 -2.505 . . . . 0.0 115.727 -179.322 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 333' ' ' ILE . . . . . . . . . . . . . . . -82.44 155.44 68.97 Favored Pre-proline 0 C--N 1.312 -1.064 0 C-N-CA 126.608 1.963 . . . . 0.0 110.934 178.974 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 334' ' ' PRO . . . . . . . . . . . . . . . -62.06 -32.27 83.72 Favored 'Trans proline' 0 CA--C 1.506 -0.919 0 C-N-CA 123.43 2.754 . . . . 0.0 115.501 -179.627 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 335' ' ' GLN . . . . . . . . . . . . . . . -62.0 -10.13 9.03 Favored 'General case' 0 C--N 1.297 -1.704 0 CA-C-N 121.323 1.874 . . . . 0.0 113.42 178.018 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . . . -66.03 -26.49 67.54 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 124.935 1.294 . . . . 0.0 108.033 -179.991 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . . . -65.59 -35.28 80.38 Favored 'General case' 0 C--O 1.245 0.845 0 C-N-CA 119.091 -1.044 . . . . 0.0 109.765 179.122 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 338' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.79 94.21 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.623 -0.673 . . . . 0.0 109.297 179.106 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 339' ' ' PHE . . . . . . . . . . . . . . . -59.76 -48.16 82.79 Favored 'General case' 0 C--O 1.243 0.751 0 CA-C-N 114.259 -1.337 . . . . 0.0 109.757 179.819 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 340' ' ' TRP . . . . . . . . . . . . . . . -54.35 -57.1 12.55 Favored 'General case' 0 C--N 1.307 -1.275 0 CA-C-N 119.581 1.082 . . . . 0.0 111.957 -177.956 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 341' ' ' TYR . . . . . . . . . . . . . . . -62.36 -47.44 84.16 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-O 117.101 -1.428 . . . . 0.0 111.845 -178.025 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 342' ' ' ALA . . . . . . . . . . . . . . . -58.95 -55.96 28.37 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 115.059 1.503 . . . . 0.0 115.059 -178.934 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 343' ' ' VAL . . . . . . . . . . . . . . . -64.67 -33.59 64.27 Favored 'Isoleucine or valine' 0 C--O 1.256 1.438 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.166 179.713 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . . . -58.48 -48.61 80.21 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-O 124.854 2.264 . . . . 0.0 109.456 178.316 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 345' ' ' THR . . . . . . . . . . . . . . . -64.75 -48.48 74.39 Favored 'General case' 0 CA--C 1.497 -1.063 0 CA-C-N 112.737 -2.029 . . . . 0.0 111.309 178.767 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 346' ' ' ALA . . . . . . . . . . . . . . . -53.13 -41.93 65.54 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-N 121.171 1.805 . . . . 0.0 112.724 179.875 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 347' ' ' VAL . . . . . . . . . . . . . . . -73.51 -44.44 53.79 Favored 'Isoleucine or valine' 0 C--O 1.253 1.278 0 CA-C-O 118.436 -0.792 . . . . 0.0 112.283 -176.297 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 348' ' ' ILE . . . . . . . . . . . . . . . -63.95 -33.52 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 O-C-N 124.085 0.865 . . . . 0.0 109.113 -179.353 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . . . -72.29 -49.28 35.91 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-O 115.215 -2.326 . . . . 0.0 110.879 -178.09 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 350' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.27 77.93 Favored 'General case' 0 C--N 1.308 -1.229 0 O-C-N 127.564 3.04 . . . . 0.0 110.986 179.017 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -72.19 -37.16 69.33 Favored 'General case' 0 C--N 1.295 -1.803 0 C-N-CA 127.404 2.281 . . . . 0.0 113.785 -177.177 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . . . -91.77 5.42 49.89 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 125.971 2.044 . . . . 0.0 112.223 -179.954 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 353' ' ' GLY . . . . . . . . . . . . . . . 75.7 -10.02 14.45 Favored Glycine 0 C--O 1.254 1.385 0 CA-C-N 121.284 1.856 . . . . 0.0 114.798 179.852 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 354' ' ' ARG . . . . . . . . . . . . . . . -52.63 -23.82 7.26 Favored 'General case' 0 C--O 1.259 1.568 0 C-N-CA 124.78 1.232 . . . . 0.0 111.439 179.575 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 355' ' ' GLN . . . . . . . . . . . . . . . -154.84 159.07 40.28 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 178.896 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 356' ' ' THR . . . . . . . . . . . . . . . -83.66 169.8 14.94 Favored 'General case' 0 C--N 1.308 -1.226 0 N-CA-C 107.297 -1.372 . . . . 0.0 107.297 178.212 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 357' ' ' VAL . . . . . . . . . . . . . . . -64.28 -49.4 81.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 O-C-N 124.806 1.316 . . . . 0.0 110.036 -178.709 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 358' ' ' ASP . . . . . . . . . . . . . . . -55.88 -41.19 74.04 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-N 113.669 -1.605 . . . . 0.0 111.013 178.385 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 359' ' ' GLU . . . . . . . . . . . . . . . -72.99 -53.88 10.03 Favored 'General case' 0 C--N 1.302 -1.472 0 C-N-CA 127.117 2.167 . . . . 0.0 112.56 -178.577 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -53.67 -44.19 69.5 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 113.667 -1.606 . . . . 0.0 111.993 179.77 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 361' ' ' LEU . . . . . . . . . . . . . . . -79.52 -37.16 37.24 Favored 'General case' 0 C--O 1.243 0.726 0 CA-C-O 116.759 -1.591 . . . . 0.0 111.643 -178.269 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 362' ' ' LYS . . . . . . . . . . . . . . . -57.08 -45.82 83.0 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 126.438 2.336 . . . . 0.0 107.573 178.855 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 363' ' ' ASP . . . . . . . . . . . . . . . -59.57 -50.38 74.13 Favored 'General case' 0 N--CA 1.438 -1.062 0 C-N-CA 126.406 1.882 . . . . 0.0 113.14 179.253 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 364' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.37 89.41 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.611 -179.195 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 365' ' ' GLN . . . . . . . . . . . . . . . -53.4 -46.14 69.6 Favored 'General case' 0 C--N 1.308 -1.213 0 O-C-N 124.447 1.092 . . . . 0.0 108.231 178.137 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 366' ' ' THR . . . . . . . . . . . . . . . -58.46 -50.72 72.72 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 116.587 -1.673 . . . . 0.0 112.16 179.001 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 367' ' ' ARG . . . . . . . . . . . . . . . -66.74 -20.9 66.06 Favored 'General case' 0 C--O 1.258 1.501 0 N-CA-C 115.911 1.819 . . . . 0.0 115.911 -179.732 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 368' ' ' ILE . . . . . . . . . . . . . . . -84.02 -45.78 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 O-C-N 124.498 1.124 . . . . 0.0 111.093 -177.946 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 369' ' ' THR . . . . . . . . . . . . . . . -88.13 7.3 32.33 Favored 'General case' 0 C--N 1.31 -1.135 0 O-C-N 125.435 1.709 . . . . 0.0 111.333 -178.659 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 370' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.1 0 C-N-CA 127.298 2.239 . . . . 0.0 107.446 179.085 . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' A' A ' 500' ' ' MXT . . . . . 0.912 ' O11' H231 ' A' ' 500' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 600' ' ' MXT . . . . . 0.798 H231 ' O11' ' A' ' 600' ' ' MXT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_